4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide

C15H19N5O — CID 30865174

IUPAC4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C15H19N5O/c21-14(18-15-16-11-17-19-15)13-6-4-12(5-7-13)10-20-8-2-1-3-9-20/h4-7,11H,1-3,8-10H2,(H2,16,17,18,19,21)
InChIKeyYJCACESDNHKJKH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.04
Rot. Bonds4

About 4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide

4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 30865174) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID30865174
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C15H19N5O/c21-14(18-15-16-11-17-19-15)13-6-4-12(5-7-13)10-20-8-2-1-3-9-20/h4-7,11H,1-3,8-10H2,(H2,16,17,18,19,21)
InChIKeyYJCACESDNHKJKH-UHFFFAOYSA-N
XLogP2.04
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(azepan-1-ylmethyl)-N-thiophen-3-ylbenzamide
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4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
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4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 7376074
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
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CID 57395916

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 30865174) is 4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is YJCACESDNHKJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-14(18-15-16-11-17-19-15)13-6-4-12(5-7-13)10-20-8-2-1-3-9-20/h4-7,11H,1-3,8-10H2,(H2,16,17,18,19,21).
What are the key properties of 4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 285.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 30865174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).