4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide

C20H23N3O2 — CID 109044877

IUPAC4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCC1CCN(C(=O)c2ccc(C(=O)NCc3ccncc3)cc2)CC1
InChIInChI=1S/C20H23N3O2/c1-15-8-12-23(13-9-15)20(25)18-4-2-17(3-5-18)19(24)22-14-16-6-10-21-11-7-16/h2-7,10-11,15H,8-9,12-14H2,1H3,(H,22,24)
InChIKeyOAAMZAOBKFDZFN-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.88
Rot. Bonds4

About 4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide

4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 109044877) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID109044877
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCC1CCN(C(=O)c2ccc(C(=O)NCc3ccncc3)cc2)CC1
InChIInChI=1S/C20H23N3O2/c1-15-8-12-23(13-9-15)20(25)18-4-2-17(3-5-18)19(24)22-14-16-6-10-21-11-7-16/h2-7,10-11,15H,8-9,12-14H2,1H3,(H,22,24)
InChIKeyOAAMZAOBKFDZFN-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109047737
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
1-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074834
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109183266
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide (CID 109044877) is 4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide is CC1CCN(C(=O)c2ccc(C(=O)NCc3ccncc3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is OAAMZAOBKFDZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-8-12-23(13-9-15)20(25)18-4-2-17(3-5-18)19(24)22-14-16-6-10-21-11-7-16/h2-7,10-11,15H,8-9,12-14H2,1H3,(H,22,24).
What are the key properties of 4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 109044877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).