piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone

C23H29N3O — CID 134801404

IUPACpiperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2-c2cccnc2)CC1)N1CCCCC1
InChIInChI=1S/C23H29N3O/c27-23(26-13-4-1-5-14-26)19-10-15-25(16-11-19)18-21-7-2-3-9-22(21)20-8-6-12-24-17-20/h2-3,6-9,12,17,19H,1,4-5,10-11,13-16,18H2
InChIKeyKDIZVOCGXQGBAK-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.97
Rot. Bonds4

About piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone

piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone (PubChem CID 134801404) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
PubChem CID134801404
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Namepiperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2-c2cccnc2)CC1)N1CCCCC1
InChIInChI=1S/C23H29N3O/c27-23(26-13-4-1-5-14-26)19-10-15-25(16-11-19)18-21-7-2-3-9-22(21)20-8-6-12-24-17-20/h2-3,6-9,12,17,19H,1,4-5,10-11,13-16,18H2
InChIKeyKDIZVOCGXQGBAK-UHFFFAOYSA-N
XLogP3.97
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134800699
N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134803038
azepan-1-yl-[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 134011136
N-[(2-fluorophenyl)methyl]-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134802499
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 44828315
N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide
CID 134802336
1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805550
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 134058330
(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
CID 134799669
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609338
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231805

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone (CID 134801404) is piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone is O=C(C1CCN(Cc2ccccc2-c2cccnc2)CC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone?
The InChIKey is KDIZVOCGXQGBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(26-13-4-1-5-14-26)19-10-15-25(16-11-19)18-21-7-2-3-9-22(21)20-8-6-12-24-17-20/h2-3,6-9,12,17,19H,1,4-5,10-11,13-16,18H2.
What are the key properties of piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone?
piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone has a molecular weight of 363.50 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 134801404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).