cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

C22H34N4O — CID 52507166

IUPACcyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C22H34N4O/c27-22(20-8-2-1-3-9-20)26-12-6-7-19(18-26)17-24-13-15-25(16-14-24)21-10-4-5-11-23-21/h4-5,10-11,19-20H,1-3,6-9,12-18H2/t19-/m0/s1
InChIKeyIOAHYEUTFFBAMR-IBGZPJMESA-N
MW370.54 g/mol
LogP3.02
Rot. Bonds4

About cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 52507166) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID52507166
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Namecyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C22H34N4O/c27-22(20-8-2-1-3-9-20)26-12-6-7-19(18-26)17-24-13-15-25(16-14-24)21-10-4-5-11-23-21/h4-5,10-11,19-20H,1-3,6-9,12-18H2/t19-/m0/s1
InChIKeyIOAHYEUTFFBAMR-IBGZPJMESA-N
XLogP3.02
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 119902888
[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 124701848
3-methyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]but-2-en-1-one
CID 95299376
(2R)-2-methyl-1-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 94799591
(3S)-3-cyclopropyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 52533815
oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 167859480
(6-fluoro-2-pyridinyl)-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 97241812
(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52808285
methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
CID 124721465
2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 146134518
(5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 95350597
5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
CID 110923901

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (CID 52507166) is cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is IOAHYEUTFFBAMR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H34N4O/c27-22(20-8-2-1-3-9-20)26-12-6-7-19(18-26)17-24-13-15-25(16-14-24)21-10-4-5-11-23-21/h4-5,10-11,19-20H,1-3,6-9,12-18H2/t19-/m0/s1.
What are the key properties of cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 370.54 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 52507166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).