1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one

C23H32N4O3 — CID 25288202

IUPAC1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)CN1CCc1ccccn1
InChIInChI=1S/C23H32N4O3/c28-21-10-9-18(16-25(21)13-11-19-6-4-5-12-24-19)23(30)26-14-15-27(22(29)17-26)20-7-2-1-3-8-20/h4-6,12,18,20H,1-3,7-11,13-17H2/t18-/m1/s1
InChIKeyRFCPURZZYJVCFA-GOSISDBHSA-N
MW412.53 g/mol
LogP1.87
Rot. Bonds5

About 1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one

1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one (PubChem CID 25288202) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one
PubChem CID25288202
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)CN1CCc1ccccn1
InChIInChI=1S/C23H32N4O3/c28-21-10-9-18(16-25(21)13-11-19-6-4-5-12-24-19)23(30)26-14-15-27(22(29)17-26)20-7-2-1-3-8-20/h4-6,12,18,20H,1-3,7-11,13-17H2/t18-/m1/s1
InChIKeyRFCPURZZYJVCFA-GOSISDBHSA-N
XLogP1.87
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one with MolForge

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Related Compounds

5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 45247271
4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one
CID 45173232
4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one
CID 42189233
(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 26405057
(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 42198640
1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one
CID 56707500
5-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 45190375
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904
(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30876883
(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 42292351
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one (CID 25288202) is 1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one is O=C1CC[C@@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)CN1CCc1ccccn1.
What is the InChIKey of 1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one?
The InChIKey is RFCPURZZYJVCFA-GOSISDBHSA-N. The full InChI is InChI=1S/C23H32N4O3/c28-21-10-9-18(16-25(21)13-11-19-6-4-5-12-24-19)23(30)26-14-15-27(22(29)17-26)20-7-2-1-3-8-20/h4-6,12,18,20H,1-3,7-11,13-17H2/t18-/m1/s1.
What are the key properties of 1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one?
1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one has a molecular weight of 412.53 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 25288202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).