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

C24H35N5O — CID 42483779

IUPAC2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1cccc(N2CCC(NCCCn3ccnc3)CC2)c1
InChIInChI=1S/C24H35N5O/c30-24(17-20-5-1-2-6-20)27-22-7-3-8-23(18-22)29-14-9-21(10-15-29)26-11-4-13-28-16-12-25-19-28/h3,7-8,12,16,18-21,26H,1-2,4-6,9-11,13-15,17H2,(H,27,30)
InChIKeyHZLBNYWMLVHGFN-UHFFFAOYSA-N
MW409.58 g/mol
LogP4.05
Rot. Bonds9

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

2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide (PubChem CID 42483779) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
PubChem CID42483779
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1cccc(N2CCC(NCCCn3ccnc3)CC2)c1
InChIInChI=1S/C24H35N5O/c30-24(17-20-5-1-2-6-20)27-22-7-3-8-23(18-22)29-14-9-21(10-15-29)26-11-4-13-28-16-12-25-19-28/h3,7-8,12,16,18-21,26H,1-2,4-6,9-11,13-15,17H2,(H,27,30)
InChIKeyHZLBNYWMLVHGFN-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'}

Analyze 2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-N-[3-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
CID 42165920
2-cyclopentyl-N-[3-[4-[(1-ethyl-5-oxopyrrolidin-3-yl)methylamino]piperidin-1-yl]phenyl]acetamide
CID 45252509
2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide
CID 26404894
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185
3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 60866364
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
N-phenyl-2-(1-pyridin-4-ylpiperidin-4-yl)acetamide
CID 140968172
2-(azetidin-3-yl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 64616785
N-[3-[4-(3-pyridin-4-ylpropylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 25294988
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide (CID 42483779) is 2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide is O=C(CC1CCCC1)Nc1cccc(N2CCC(NCCCn3ccnc3)CC2)c1.
What is the InChIKey of 2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
The InChIKey is HZLBNYWMLVHGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c30-24(17-20-5-1-2-6-20)27-22-7-3-8-23(18-22)29-14-9-21(10-15-29)26-11-4-13-28-16-12-25-19-28/h3,7-8,12,16,18-21,26H,1-2,4-6,9-11,13-15,17H2,(H,27,30).
What are the key properties of 2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide?
2-cyclopentyl-N-[3-[4-(3-imidazol-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-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 42483779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).