2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide

C24H35N5O — CID 42165920

IUPAC2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1cccc(N2CCC(NCCCn3cccn3)CC2)c1
InChIInChI=1S/C24H35N5O/c30-24(18-20-6-1-2-7-20)27-22-8-3-9-23(19-22)28-16-10-21(11-17-28)25-12-4-14-29-15-5-13-26-29/h3,5,8-9,13,15,19-21,25H,1-2,4,6-7,10-12,14,16-18H2,(H,27,30)
InChIKeyJWLDEMKNESGLKN-UHFFFAOYSA-N
MW409.58 g/mol
LogP4.05
Rot. Bonds9

About 2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide

2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide (PubChem CID 42165920) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
PubChem CID42165920
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1cccc(N2CCC(NCCCn3cccn3)CC2)c1
InChIInChI=1S/C24H35N5O/c30-24(18-20-6-1-2-7-20)27-22-8-3-9-23(19-22)28-16-10-21(11-17-28)25-12-4-14-29-15-5-13-26-29/h3,5,8-9,13,15,19-21,25H,1-2,4,6-7,10-12,14,16-18H2,(H,27,30)
InChIKeyJWLDEMKNESGLKN-UHFFFAOYSA-N
XLogP4.05
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
CID 42483779
2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
CID 42429096
2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide
CID 45252509
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185
2-(1-cyclohexylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 92633708
2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide
CID 26404894
4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
CID 112698622
2-(azetidin-3-yl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 64616785
(2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 51495526
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
N-phenyl-2-(1-pyridin-4-ylpiperidin-4-yl)acetamide
CID 140968172

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide (CID 42165920) is 2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide is O=C(CC1CCCC1)Nc1cccc(N2CCC(NCCCn3cccn3)CC2)c1.
What is the InChIKey of 2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
The InChIKey is JWLDEMKNESGLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c30-24(18-20-6-1-2-7-20)27-22-8-3-9-23(19-22)28-16-10-21(11-17-28)25-12-4-14-29-15-5-13-26-29/h3,5,8-9,13,15,19-21,25H,1-2,4,6-7,10-12,14,16-18H2,(H,27,30).
What are the key properties of 2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide has a molecular weight of 409.58 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 42165920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).