N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide

C23H30N4O — CID 11567045

IUPACN-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(N2CCN(C3CCCC3)CC2)nc1
InChIInChI=1S/C23H30N4O/c28-23(16-19-6-2-1-3-7-19)25-18-20-10-11-22(24-17-20)27-14-12-26(13-15-27)21-8-4-5-9-21/h1-3,6-7,10-11,17,21H,4-5,8-9,12-16,18H2,(H,25,28)
InChIKeyWWLJVKCMRPUCBP-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.01
Rot. Bonds6

About N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide

N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide (PubChem CID 11567045) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide
PubChem CID11567045
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(N2CCN(C3CCCC3)CC2)nc1
InChIInChI=1S/C23H30N4O/c28-23(16-19-6-2-1-3-7-19)25-18-20-10-11-22(24-17-20)27-14-12-26(13-15-27)21-8-4-5-9-21/h1-3,6-7,10-11,17,21H,4-5,8-9,12-16,18H2,(H,25,28)
InChIKeyWWLJVKCMRPUCBP-UHFFFAOYSA-N
XLogP3.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55858511
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 11623843
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55744205
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439
4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid
CID 67144831
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
N-[[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-3-pyridinyl]methyl]-3-hydroxybutanamide
CID 59240639
2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 94025809
(2R)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-2-carboxamide
CID 119846204

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide (CID 11567045) is N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCc1ccc(N2CCN(C3CCCC3)CC2)nc1.
What is the InChIKey of N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide?
The InChIKey is WWLJVKCMRPUCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c28-23(16-19-6-2-1-3-7-19)25-18-20-10-11-22(24-17-20)27-14-12-26(13-15-27)21-8-4-5-9-21/h1-3,6-7,10-11,17,21H,4-5,8-9,12-16,18H2,(H,25,28).
What are the key properties of N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide?
N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide has a molecular weight of 378.52 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 11567045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).