N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide

C24H30FN5O3 — CID 55794578

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NCc2cccnc2OC2CCCC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H30FN5O3/c25-19-7-9-20(10-8-19)28-22(31)17-29-12-14-30(15-13-29)24(32)27-16-18-4-3-11-26-23(18)33-21-5-1-2-6-21/h3-4,7-11,21H,1-2,5-6,12-17H2,(H,27,32)(H,28,31)
InChIKeySFZCEJYHUVVKCO-UHFFFAOYSA-N
MW455.53 g/mol
LogP3.01
Rot. Bonds7

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 55794578) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID55794578
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NCc2cccnc2OC2CCCC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H30FN5O3/c25-19-7-9-20(10-8-19)28-22(31)17-29-12-14-30(15-13-29)24(32)27-16-18-4-3-11-26-23(18)33-21-5-1-2-6-21/h3-4,7-11,21H,1-2,5-6,12-17H2,(H,27,32)(H,28,31)
InChIKeySFZCEJYHUVVKCO-UHFFFAOYSA-N
XLogP3.01
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 127774583
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 51114936
ethyl 4-[N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162645
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 87000001
4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 55590669
4-(4-chlorophenyl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-oxobutanamide
CID 55679215
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 36604681
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 55659908
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044376
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8719210
N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 17446865

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide (CID 55794578) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide is O=C(CN1CCN(C(=O)NCc2cccnc2OC2CCCC2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is SFZCEJYHUVVKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3/c25-19-7-9-20(10-8-19)28-22(31)17-29-12-14-30(15-13-29)24(32)27-16-18-4-3-11-26-23(18)33-21-5-1-2-6-21/h3-4,7-11,21H,1-2,5-6,12-17H2,(H,27,32)(H,28,31).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 55794578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).