1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one

C23H39N3O3 — CID 45189762

IUPAC1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(CN3CCOCC3)CC2)CN1CC1CCCCC1
InChIInChI=1S/C23H39N3O3/c27-22-7-6-21(18-26(22)17-19-4-2-1-3-5-19)23(28)25-10-8-20(9-11-25)16-24-12-14-29-15-13-24/h19-21H,1-18H2
InChIKeyLYMYVPSPJQURIU-UHFFFAOYSA-N
MW405.58 g/mol
LogP2.38
Rot. Bonds5

About 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one

1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 45189762) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID45189762
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC Name1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(CN3CCOCC3)CC2)CN1CC1CCCCC1
InChIInChI=1S/C23H39N3O3/c27-22-7-6-21(18-26(22)17-19-4-2-1-3-5-19)23(28)25-10-8-20(9-11-25)16-24-12-14-29-15-13-24/h19-21H,1-18H2
InChIKeyLYMYVPSPJQURIU-UHFFFAOYSA-N
XLogP2.38
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one 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-(Cyclohexylmethyl)-5-{[4-(methoxymethyl)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24794164
1-Morpholin-4-yl-2-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]ethanone
CID 75373099
Cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 42693449
Cyclohexyl[2-(2-morpholinoethyl)piperidino]methanone
CID 53193420
1'-(Cyclohexylmethyl)-4-(4-morpholinylcarbonyl)-1,4'-bipiperidine
CID 25447022
5-(1-Azocanylcarbonyl)-1-[3-(4-morpholinyl)propyl]-2-piperidinone
CID 45218058
2-(2-Oxopiperidin-1-yl)ethyl 3-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propanoate
CID 58135901
3-[2-[4-(2-Morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one
CID 138570790
4-[(1-methylpiperidin-3-yl)methyl]morpholine;N,N,1-trimethylpiperidine-3-carboxamide
CID 141917359
4-[3-(Morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carbaldehyde
CID 153903856
(3S,5R)-1-cyclohexyl-5-(morpholine-4-carbonyl)piperidine-3-carbaldehyde
CID 170151091
[1-(Cyclohexylmethyl)piperidin-4-yl](morpholin-4-yl)methanone
CID 883922

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one (CID 45189762) is 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one is O=C1CCC(C(=O)N2CCC(CN3CCOCC3)CC2)CN1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is LYMYVPSPJQURIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3/c27-22-7-6-21(18-26(22)17-19-4-2-1-3-5-19)23(28)25-10-8-20(9-11-25)16-24-12-14-29-15-13-24/h19-21H,1-18H2.
What are the key properties of 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one?
1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 405.58 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 45189762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).