N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide

C24H31N3O — CID 138058182

IUPACN-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)c2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C24H31N3O/c1-19(20-8-3-2-4-9-20)26-16-12-22(13-17-26)25-24(28)21-10-7-11-23(18-21)27-14-5-6-15-27/h2-4,7-11,18-19,22H,5-6,12-17H2,1H3,(H,25,28)
InChIKeyOGVYERYHNIRXTJ-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.24
Rot. Bonds5

About N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide

N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide (PubChem CID 138058182) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide
PubChem CID138058182
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)c2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C24H31N3O/c1-19(20-8-3-2-4-9-20)26-16-12-22(13-17-26)25-24(28)21-10-7-11-23(18-21)27-14-5-6-15-27/h2-4,7-11,18-19,22H,5-6,12-17H2,1H3,(H,25,28)
InChIKeyOGVYERYHNIRXTJ-UHFFFAOYSA-N
XLogP4.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide 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

N-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]benzamide
CID 51966883
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
N-cyclohexyl-3-piperazin-1-ylbenzamide
CID 28748940
2-hydroxy-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 110014648
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119041844
1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 119879171
N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109052171
(2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride
CID 120636947

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide (CID 138058182) is N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide is CC(c1ccccc1)N1CCC(NC(=O)c2cccc(N3CCCC3)c2)CC1.
What is the InChIKey of N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide?
The InChIKey is OGVYERYHNIRXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-19(20-8-3-2-4-9-20)26-16-12-22(13-17-26)25-24(28)21-10-7-11-23(18-21)27-14-5-6-15-27/h2-4,7-11,18-19,22H,5-6,12-17H2,1H3,(H,25,28).
What are the key properties of N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide?
N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide has a molecular weight of 377.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 138058182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).