4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

C21H33N3O2 — CID 122571241

IUPAC4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)N1CCC(O)(CN2CCCC2)CC1
InChIInChI=1S/C21H33N3O2/c1-18(9-10-19-7-3-2-4-8-19)22-20(25)24-15-11-21(26,12-16-24)17-23-13-5-6-14-23/h2-4,7-8,18,26H,5-6,9-17H2,1H3,(H,22,25)
InChIKeyRGLBWWUWDBIPIK-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.64
Rot. Bonds6

About 4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 122571241) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
PubChem CID122571241
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)N1CCC(O)(CN2CCCC2)CC1
InChIInChI=1S/C21H33N3O2/c1-18(9-10-19-7-3-2-4-8-19)22-20(25)24-15-11-21(26,12-16-24)17-23-13-5-6-14-23/h2-4,7-8,18,26H,5-6,9-17H2,1H3,(H,22,25)
InChIKeyRGLBWWUWDBIPIK-UHFFFAOYSA-N
XLogP2.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide 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

1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 125445404
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 126440866
N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 47015071
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide
CID 25490786
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide
CID 125447718
4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 86927572
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 71785218
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide
CID 55457980

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (CID 122571241) is 4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is CC(CCc1ccccc1)NC(=O)N1CCC(O)(CN2CCCC2)CC1.
What is the InChIKey of 4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is RGLBWWUWDBIPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-18(9-10-19-7-3-2-4-8-19)22-20(25)24-15-11-21(26,12-16-24)17-23-13-5-6-14-23/h2-4,7-8,18,26H,5-6,9-17H2,1H3,(H,22,25).
What are the key properties of 4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 122571241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).