(1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C22H28N4O — CID 120731808

IUPAC(1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(Cc2ccccc2)CC1)N1CCNCC1c1cccnc1
InChIInChI=1S/C22H28N4O/c27-22(26-14-11-24-16-21(26)20-7-4-10-23-15-20)19-8-12-25(13-9-19)17-18-5-2-1-3-6-18/h1-7,10,15,19,21,24H,8-9,11-14,16-17H2
InChIKeyBSWSGIWKTLPIIQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.47
Rot. Bonds4

About (1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120731808) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120731808
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(Cc2ccccc2)CC1)N1CCNCC1c1cccnc1
InChIInChI=1S/C22H28N4O/c27-22(26-14-11-24-16-21(26)20-7-4-10-23-15-20)19-8-12-25(13-9-19)17-18-5-2-1-3-6-18/h1-7,10,15,19,21,24H,8-9,11-14,16-17H2
InChIKeyBSWSGIWKTLPIIQ-UHFFFAOYSA-N
XLogP2.47
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-pyridin-3-ylpiperazin-1-yl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 120731821
2-[benzyl(methyl)amino]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731815
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730303
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
CID 120730149
2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 120755838
(1-benzylpiperidin-4-yl)-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 94665196
(1-benzylpiperidin-4-yl)-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 94665195
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride
CID 120731926
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120731808) is (1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is O=C(C1CCN(Cc2ccccc2)CC1)N1CCNCC1c1cccnc1.
What is the InChIKey of (1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is BSWSGIWKTLPIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(26-14-11-24-16-21(26)20-7-4-10-23-15-20)19-8-12-25(13-9-19)17-18-5-2-1-3-6-18/h1-7,10,15,19,21,24H,8-9,11-14,16-17H2.
What are the key properties of (1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120731808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).