[4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone

C32H45N3O2 — CID 118147974

IUPAC[4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
SMILESCCN(CC1CCN(CC2(C)CCC2)CC1)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1
InChIInChI=1S/C32H45N3O2/c1-3-34(22-25-15-20-33(21-16-25)24-32(2)17-5-18-32)29-13-11-27(12-14-29)26-7-9-28(10-8-26)31(37)35-19-4-6-30(36)23-35/h7-14,25,30,36H,3-6,15-24H2,1-2H3/t30-/m1/s1
InChIKeyNQYPYDBPGPZDLW-SSEXGKCCSA-N
MW503.73 g/mol
LogP5.68
Rot. Bonds8

About [4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone

[4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 118147974) has the molecular formula C32H45N3O2 and a molecular weight of 503.73 g/mol. Its IUPAC name is [4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
PubChem CID118147974
Molecular FormulaC32H45N3O2
Molecular Weight503.73 g/mol
Exact Mass503.35
IUPAC Name[4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
SMILESCCN(CC1CCN(CC2(C)CCC2)CC1)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1
InChIInChI=1S/C32H45N3O2/c1-3-34(22-25-15-20-33(21-16-25)24-32(2)17-5-18-32)29-13-11-27(12-14-29)26-7-9-28(10-8-26)31(37)35-19-4-6-30(36)23-35/h7-14,25,30,36H,3-6,15-24H2,1-2H3/t30-/m1/s1
InChIKeyNQYPYDBPGPZDLW-SSEXGKCCSA-N
XLogP5.68
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.73
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-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-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224194
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131
[3-fluoro-4-[2-fluoro-4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 118147962
(3-hydroxypiperidin-1-yl)-[4-[6-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]-3-pyridinyl]phenyl]methanone
CID 90017000
[(3S)-3-hydroxypiperidin-1-yl]-[4-[6-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]-3-pyridinyl]phenyl]methanone
CID 90017566
[4-[3-fluoro-4-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 90017197
[2-fluoro-4-[5-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]pyrazin-2-yl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 118147987
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide
CID 118147802
[4-(ethylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62178263
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-[2-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]pyrimidin-5-yl]phenyl]methanone
CID 118147976
(2S)-1-[4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methylamino]phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 118147990

Frequently Asked Questions

What is the IUPAC name of [4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone (CID 118147974) is [4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone is CCN(CC1CCN(CC2(C)CCC2)CC1)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1.
What is the InChIKey of [4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is NQYPYDBPGPZDLW-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H45N3O2/c1-3-34(22-25-15-20-33(21-16-25)24-32(2)17-5-18-32)29-13-11-27(12-14-29)26-7-9-28(10-8-26)31(37)35-19-4-6-30(36)23-35/h7-14,25,30,36H,3-6,15-24H2,1-2H3/t30-/m1/s1.
What are the key properties of [4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone?
[4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 503.73 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[ethyl-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methyl]amino]phenyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 118147974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).