4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide

C42H48F2N10O2 — CID 167682098

IUPAC4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccncc2F)CC1)c1cccc2ccn(C)c12.C[C@H](NC(=O)N1CCN(c2ccncc2F)CC1)c1cccc2ccn(C)c12
InChIInChI=1S/2C21H24FN5O/c2*1-15(17-5-3-4-16-7-9-25(2)20(16)17)24-21(28)27-12-10-26(11-13-27)19-6-8-23-14-18(19)22/h2*3-9,14-15H,10-13H2,1-2H3,(H,24,28)/t2*15-/m10/s1
InChIKeyVROZDIZATKCVJR-ZWZQDMJTSA-N
MW762.91 g/mol
LogP6.61
Rot. Bonds6

About 4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide

4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide (PubChem CID 167682098) has the molecular formula C42H48F2N10O2 and a molecular weight of 762.91 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide
PubChem CID167682098
Molecular FormulaC42H48F2N10O2
Molecular Weight762.91 g/mol
Exact Mass762.39
IUPAC Name4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccncc2F)CC1)c1cccc2ccn(C)c12.C[C@H](NC(=O)N1CCN(c2ccncc2F)CC1)c1cccc2ccn(C)c12
InChIInChI=1S/2C21H24FN5O/c2*1-15(17-5-3-4-16-7-9-25(2)20(16)17)24-21(28)27-12-10-26(11-13-27)19-6-8-23-14-18(19)22/h2*3-9,14-15H,10-13H2,1-2H3,(H,24,28)/t2*15-/m10/s1
InChIKeyVROZDIZATKCVJR-ZWZQDMJTSA-N
XLogP6.61
TPSA106.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.91
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S)-1-(2-chloro-3-fluorophenyl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 174195525
N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 155438968
N-[(1R)-1-(2-chloro-5-methoxyphenyl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 155749612
(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide
CID 155749655
4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 155749578
4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide
CID 174195286
1-(3-fluoro-4-pyridinyl)-4-prop-1-en-2-ylpiperazine
CID 155454771
N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107350
4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide
CID 174195240
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 146123535
(2R)-4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
CID 155749520

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide (CID 167682098) is 4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(c2ccncc2F)CC1)c1cccc2ccn(C)c12.C[C@H](NC(=O)N1CCN(c2ccncc2F)CC1)c1cccc2ccn(C)c12.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is VROZDIZATKCVJR-ZWZQDMJTSA-N. The full InChI is InChI=1S/2C21H24FN5O/c2*1-15(17-5-3-4-16-7-9-25(2)20(16)17)24-21(28)27-12-10-26(11-13-27)19-6-8-23-14-18(19)22/h2*3-9,14-15H,10-13H2,1-2H3,(H,24,28)/t2*15-/m10/s1.
What are the key properties of 4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide?
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 762.91 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 167682098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).