1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide

C16H20N6O2 — CID 121195903

IUPAC1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2cn(-c3ccncc3)nn2)CC1
InChIInChI=1S/C16H20N6O2/c1-12(23)21-8-4-13(5-9-21)16(24)18-10-14-11-22(20-19-14)15-2-6-17-7-3-15/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,18,24)
InChIKeyIJUTXBNRHHDHQT-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.54
Rot. Bonds4

About 1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide

1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 121195903) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID121195903
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2cn(-c3ccncc3)nn2)CC1
InChIInChI=1S/C16H20N6O2/c1-12(23)21-8-4-13(5-9-21)16(24)18-10-14-11-22(20-19-14)15-2-6-17-7-3-15/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,18,24)
InChIKeyIJUTXBNRHHDHQT-UHFFFAOYSA-N
XLogP0.54
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide
CID 121195905
4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002
2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
CID 121195982
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119105033
2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
CID 121195878
4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 121022269
4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 121196000
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 121196035
3-fluoro-4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195968
1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 60976301
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide (CID 121195903) is 1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2cn(-c3ccncc3)nn2)CC1.
What is the InChIKey of 1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is IJUTXBNRHHDHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-12(23)21-8-4-13(5-9-21)16(24)18-10-14-11-22(20-19-14)15-2-6-17-7-3-15/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,18,24).
What are the key properties of 1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 121195903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).