[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

C21H27N3O — CID 110102879

IUPAC[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCC(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-23(2)16-19-3-5-20(6-4-19)21(25)24-13-9-18(10-14-24)15-17-7-11-22-12-8-17/h3-8,11-12,18H,9-10,13-16H2,1-2H3
InChIKeyODGJMGPPPCQRSY-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.24
Rot. Bonds5

About [4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110102879) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID110102879
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCC(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-23(2)16-19-3-5-20(6-4-19)21(25)24-13-9-18(10-14-24)15-17-7-11-22-12-8-17/h3-8,11-12,18H,9-10,13-16H2,1-2H3
InChIKeyODGJMGPPPCQRSY-UHFFFAOYSA-N
XLogP3.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102849
(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102830
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
3-methyl-5-[4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 110102911
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 166623326
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
(4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone
CID 19372732
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (CID 110102879) is [4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is CN(C)Cc1ccc(C(=O)N2CCC(Cc3ccncc3)CC2)cc1.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ODGJMGPPPCQRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-23(2)16-19-3-5-20(6-4-19)21(25)24-13-9-18(10-14-24)15-17-7-11-22-12-8-17/h3-8,11-12,18H,9-10,13-16H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 337.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110102879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).