[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone

C25H27N3O — CID 109209814

IUPAC[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
SMILESO=C(c1cc(NCc2ccccc2)ccn1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H27N3O/c29-25(28-15-12-21(13-16-28)17-20-7-3-1-4-8-20)24-18-23(11-14-26-24)27-19-22-9-5-2-6-10-22/h1-11,14,18,21H,12-13,15-17,19H2,(H,26,27)
InChIKeyOPKCSMFFWSFDSA-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.79
Rot. Bonds6

About [4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone

[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone (PubChem CID 109209814) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is [4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
PubChem CID109209814
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
SMILESO=C(c1cc(NCc2ccccc2)ccn1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H27N3O/c29-25(28-15-12-21(13-16-28)17-20-7-3-1-4-8-20)24-18-23(11-14-26-24)27-19-22-9-5-2-6-10-22/h1-11,14,18,21H,12-13,15-17,19H2,(H,26,27)
InChIKeyOPKCSMFFWSFDSA-UHFFFAOYSA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202348
(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210790
(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109205096
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209018
(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109213109
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 62185374
[4-[(3-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208062

Frequently Asked Questions

What is the IUPAC name of [4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone?
The IUPAC name of [4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone (CID 109209814) is [4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone is O=C(c1cc(NCc2ccccc2)ccn1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of [4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone?
The InChIKey is OPKCSMFFWSFDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c29-25(28-15-12-21(13-16-28)17-20-7-3-1-4-8-20)24-18-23(11-14-26-24)27-19-22-9-5-2-6-10-22/h1-11,14,18,21H,12-13,15-17,19H2,(H,26,27).
What are the key properties of [4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone?
[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone has a molecular weight of 385.51 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone is sourced from PubChem (CID 109209814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).