1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one

C22H31N3O2 — CID 95722482

IUPAC1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one
SMILESO=C(c1ccc(C[C@H]2CCCNC2)cc1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C22H31N3O2/c26-21-16-24(12-13-25(21)20-5-1-2-6-20)22(27)19-9-7-17(8-10-19)14-18-4-3-11-23-15-18/h7-10,18,20,23H,1-6,11-16H2/t18-/m1/s1
InChIKeyHXSHHDVCKHBICW-GOSISDBHSA-N
MW369.51 g/mol
LogP2.46
Rot. Bonds4

About 1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one

1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one (PubChem CID 95722482) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one
PubChem CID95722482
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one
SMILESO=C(c1ccc(C[C@H]2CCCNC2)cc1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C22H31N3O2/c26-21-16-24(12-13-25(21)20-5-1-2-6-20)22(27)19-9-7-17(8-10-19)14-18-4-3-11-23-15-18/h7-10,18,20,23H,1-6,11-16H2/t18-/m1/s1
InChIKeyHXSHHDVCKHBICW-GOSISDBHSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one
CID 166612327
1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one
CID 56893991
(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone
CID 56887195
(2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
CID 95722792
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[4-(piperidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 154893197
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-(pyrrolidin-3-ylmethyl)phenyl]methanone
CID 166613267
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(pyrrolidin-3-ylmethyl)phenyl]methanone
CID 166618006
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
CID 95711804
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 95730046
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate
CID 97300286

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one (CID 95722482) is 1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one is O=C(c1ccc(C[C@H]2CCCNC2)cc1)N1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one?
The InChIKey is HXSHHDVCKHBICW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21-16-24(12-13-25(21)20-5-1-2-6-20)22(27)19-9-7-17(8-10-19)14-18-4-3-11-23-15-18/h7-10,18,20,23H,1-6,11-16H2/t18-/m1/s1.
What are the key properties of 1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one?
1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one has a molecular weight of 369.51 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one is sourced from PubChem (CID 95722482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).