3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide

C15H24N6O2 — CID 70732021

IUPAC3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESCn1cnnc1C1CCN(C(=O)C2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C15H24N6O2/c1-19-10-17-18-13(19)11-4-7-20(8-5-11)14(22)12-3-2-6-21(9-12)15(16)23/h10-12H,2-9H2,1H3,(H2,16,23)
InChIKeyBCCSFZSJBYHJMX-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.31
Rot. Bonds2

About 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide

3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 70732021) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID70732021
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESCn1cnnc1C1CCN(C(=O)C2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C15H24N6O2/c1-19-10-17-18-13(19)11-4-7-20(8-5-11)14(22)12-3-2-6-21(9-12)15(16)23/h10-12H,2-9H2,1H3,(H2,16,23)
InChIKeyBCCSFZSJBYHJMX-UHFFFAOYSA-N
XLogP0.31
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 45224554
1-(2-amino-2-oxoethyl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 47000434
3-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53610044
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N,1'-dimethyl-1,4'-bipiperidine-3-carboxamide
CID 56878147
N,1'-dimethyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56879690
2-ethyl-9-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70705092
4-{3-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-4-oxobutanamide
CID 70777373
1-cyclopentyl-N-methyl-6-oxo-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-piperidinecarboxamide
CID 72860922
Cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 91919511
Cyclopentyl-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192598
Piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192619
1'-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine
CID 56880275

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide (CID 70732021) is 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide is Cn1cnnc1C1CCN(C(=O)C2CCCN(C(N)=O)C2)CC1.
What is the InChIKey of 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is BCCSFZSJBYHJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-19-10-17-18-13(19)11-4-7-20(8-5-11)14(22)12-3-2-6-21(9-12)15(16)23/h10-12H,2-9H2,1H3,(H2,16,23).
What are the key properties of 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 70732021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).