(3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone

C28H44N4O3 — CID 45187786

IUPAC(3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone
SMILESO=C(c1ccc(N2CCC(NCC3(N4CCOCC4)CCCCC3)CC2)cc1)N1CCCC(O)C1
InChIInChI=1S/C28H44N4O3/c33-26-5-4-14-31(21-26)27(34)23-6-8-25(9-7-23)30-15-10-24(11-16-30)29-22-28(12-2-1-3-13-28)32-17-19-35-20-18-32/h6-9,24,26,29,33H,1-5,10-22H2
InChIKeyAOPOTCKBMLJZRF-UHFFFAOYSA-N
MW484.69 g/mol
LogP2.88
Rot. Bonds6

About (3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone

(3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone (PubChem CID 45187786) has the molecular formula C28H44N4O3 and a molecular weight of 484.69 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone
PubChem CID45187786
Molecular FormulaC28H44N4O3
Molecular Weight484.69 g/mol
Exact Mass484.34
IUPAC Name(3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone
SMILESO=C(c1ccc(N2CCC(NCC3(N4CCOCC4)CCCCC3)CC2)cc1)N1CCCC(O)C1
InChIInChI=1S/C28H44N4O3/c33-26-5-4-14-31(21-26)27(34)23-6-8-25(9-7-23)30-15-10-24(11-16-30)29-22-28(12-2-1-3-13-28)32-17-19-35-20-18-32/h6-9,24,26,29,33H,1-5,10-22H2
InChIKeyAOPOTCKBMLJZRF-UHFFFAOYSA-N
XLogP2.88
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.69
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]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-[4-(cyclohexylamino)piperidin-1-yl]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 118755342
(3S)-1-(4-chlorobenzoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide
CID 31297423
[4-[4-[(2,6-difluoro-3-methylphenyl)methylamino]piperidin-1-yl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 125155531
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 24792021
[4-[4-[(2,3-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 42436719
morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 45205688
[4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 26361591
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 46951890
1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine
CID 50974135
[4-[4-(2-adamantylmethylamino)piperidin-1-yl]phenyl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 25295009

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone (CID 45187786) is (3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone is O=C(c1ccc(N2CCC(NCC3(N4CCOCC4)CCCCC3)CC2)cc1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone?
The InChIKey is AOPOTCKBMLJZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N4O3/c33-26-5-4-14-31(21-26)27(34)23-6-8-25(9-7-23)30-15-10-24(11-16-30)29-22-28(12-2-1-3-13-28)32-17-19-35-20-18-32/h6-9,24,26,29,33H,1-5,10-22H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone has a molecular weight of 484.69 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[4-[4-[(1-morpholin-4-ylcyclohexyl)methylamino]piperidin-1-yl]phenyl]methanone is sourced from PubChem (CID 45187786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).