(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone

C25H39N3O — CID 26329649

IUPAC(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CC1
InChIInChI=1S/C25H39N3O/c1-21-9-18-27(19-10-21)25(29)23-8-5-14-28(20-23)24-12-16-26(17-13-24)15-11-22-6-3-2-4-7-22/h2-4,6-7,21,23-24H,5,8-20H2,1H3/t23-/m1/s1
InChIKeyCEVYRYPKPIBVKB-HSZRJFAPSA-N
MW397.61 g/mol
LogP3.66
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone

(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 26329649) has the molecular formula C25H39N3O and a molecular weight of 397.61 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID26329649
Molecular FormulaC25H39N3O
Molecular Weight397.61 g/mol
Exact Mass397.31
IUPAC Name(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CC1
InChIInChI=1S/C25H39N3O/c1-21-9-18-27(19-10-21)25(29)23-8-5-14-28(20-23)24-12-16-26(17-13-24)15-11-22-6-3-2-4-7-22/h2-4,6-7,21,23-24H,5,8-20H2,1H3/t23-/m1/s1
InChIKeyCEVYRYPKPIBVKB-HSZRJFAPSA-N
XLogP3.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.61
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone 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

(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301
methyl 1-[1-(1-benzylpiperidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 4657219
methyl 2-[[1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carbonyl]amino]acetate
CID 45240399
(3R)-N-(1-hydroxy-2-methylpropan-2-yl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554851
(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95402897
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 26329649) is (4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone is CC1CCN(C(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is CEVYRYPKPIBVKB-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H39N3O/c1-21-9-18-27(19-10-21)25(29)23-8-5-14-28(20-23)24-12-16-26(17-13-24)15-11-22-6-3-2-4-7-22/h2-4,6-7,21,23-24H,5,8-20H2,1H3/t23-/m1/s1.
What are the key properties of (4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 397.61 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 26329649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).