2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide

C23H24N4O — CID 55804031

IUPAC2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H24N4O/c28-22(21-12-5-4-10-19(21)16-18-8-2-1-3-9-18)26-20-11-6-15-27(17-20)23-24-13-7-14-25-23/h1-5,7-10,12-14,20H,6,11,15-17H2,(H,26,28)
InChIKeyZZIQGJWOIDXCCP-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.47
Rot. Bonds5

About 2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide

2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide (PubChem CID 55804031) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
PubChem CID55804031
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H24N4O/c28-22(21-12-5-4-10-19(21)16-18-8-2-1-3-9-18)26-20-11-6-15-27(17-20)23-24-13-7-14-25-23/h1-5,7-10,12-14,20H,6,11,15-17H2,(H,26,28)
InChIKeyZZIQGJWOIDXCCP-UHFFFAOYSA-N
XLogP3.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 71939760
2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 55802649
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 55802771
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
2-benzyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542896
1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 55967731
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The IUPAC name of 2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide (CID 55804031) is 2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The canonical SMILES for 2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide is O=C(NC1CCCN(c2ncccn2)C1)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The InChIKey is ZZIQGJWOIDXCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-22(21-12-5-4-10-19(21)16-18-8-2-1-3-9-18)26-20-11-6-15-27(17-20)23-24-13-7-14-25-23/h1-5,7-10,12-14,20H,6,11,15-17H2,(H,26,28).
What are the key properties of 2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide is sourced from PubChem (CID 55804031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).