4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide

C35H42FN5O2 — CID 171503089

IUPAC4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide
SMILESC[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2cc(F)cc(NC(=O)N3CCN(C4=CCCC4)CC3)c2)CC1
InChIInChI=1S/C35H42FN5O2/c1-25(32-12-6-8-27-7-2-5-11-33(27)32)39-15-13-28(14-16-39)34(42)37-24-26-21-29(36)23-30(22-26)38-35(43)41-19-17-40(18-20-41)31-9-3-4-10-31/h2,5-9,11-12,21-23,25,28H,3-4,10,13-20,24H2,1H3,(H,37,42)(H,38,43)/t25-/m1/s1
InChIKeyYNGZWUVAMXLCLY-RUZDIDTESA-N
MW583.75 g/mol
LogP6.29
Rot. Bonds7

About 4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide

4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide (PubChem CID 171503089) has the molecular formula C35H42FN5O2 and a molecular weight of 583.75 g/mol. Its IUPAC name is 4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide
PubChem CID171503089
Molecular FormulaC35H42FN5O2
Molecular Weight583.75 g/mol
Exact Mass583.33
IUPAC Name4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide
SMILESC[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2cc(F)cc(NC(=O)N3CCN(C4=CCCC4)CC3)c2)CC1
InChIInChI=1S/C35H42FN5O2/c1-25(32-12-6-8-27-7-2-5-11-33(27)32)39-15-13-28(14-16-39)34(42)37-24-26-21-29(36)23-30(22-26)38-35(43)41-19-17-40(18-20-41)31-9-3-4-10-31/h2,5-9,11-12,21-23,25,28H,3-4,10,13-20,24H2,1H3,(H,37,42)(H,38,43)/t25-/m1/s1
InChIKeyYNGZWUVAMXLCLY-RUZDIDTESA-N
XLogP6.29
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.75
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-fluorophenyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 76853653
N-[(4-fluorophenyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 155891033
4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide
CID 171503096
4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide
CID 171503112
N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 85470634
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
N-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 176652835
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
1-[(1R)-1-naphthalen-1-ylethyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 90670154
N-[(4-fluorophenyl)methyl]-1-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55839313
N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910281
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide (CID 171503089) is 4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide is C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2cc(F)cc(NC(=O)N3CCN(C4=CCCC4)CC3)c2)CC1.
What is the InChIKey of 4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide?
The InChIKey is YNGZWUVAMXLCLY-RUZDIDTESA-N. The full InChI is InChI=1S/C35H42FN5O2/c1-25(32-12-6-8-27-7-2-5-11-33(27)32)39-15-13-28(14-16-39)34(42)37-24-26-21-29(36)23-30(22-26)38-35(43)41-19-17-40(18-20-41)31-9-3-4-10-31/h2,5-9,11-12,21-23,25,28H,3-4,10,13-20,24H2,1H3,(H,37,42)(H,38,43)/t25-/m1/s1.
What are the key properties of 4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide?
4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide has a molecular weight of 583.75 g/mol, XLogP of 6.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 171503089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).