(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

C19H22N2O — CID 110102766

IUPAC(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(Cc3ccncc3)CC2)c1
InChIInChI=1S/C19H22N2O/c1-15-3-2-4-18(13-15)19(22)21-11-7-17(8-12-21)14-16-5-9-20-10-6-16/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3
InChIKeyONOBRDTXFCASJN-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.48
Rot. Bonds3

About (3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110102766) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID110102766
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(Cc3ccncc3)CC2)c1
InChIInChI=1S/C19H22N2O/c1-15-3-2-4-18(13-15)19(22)21-11-7-17(8-12-21)14-16-5-9-20-10-6-16/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3
InChIKeyONOBRDTXFCASJN-UHFFFAOYSA-N
XLogP3.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102830
[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102879
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
3-methyl-5-[4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 110102911
(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 141155816
[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102849
(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
CID 53150992
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
6-[4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 110102771
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 114801549

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (CID 110102766) is (3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCC(Cc3ccncc3)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ONOBRDTXFCASJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-3-2-4-18(13-15)19(22)21-11-7-17(8-12-21)14-16-5-9-20-10-6-16/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3.
What are the key properties of (3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 294.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110102766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).