1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide

C15H26N6O — CID 56865948

IUPAC1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCCC(C(=O)NCc3ncn[nH]3)C2)CC1
InChIInChI=1S/C15H26N6O/c1-20-7-4-13(5-8-20)21-6-2-3-12(10-21)15(22)16-9-14-17-11-18-19-14/h11-13H,2-10H2,1H3,(H,16,22)(H,17,18,19)
InChIKeyJZZYPUKMDHUTRB-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.23
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide

1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (PubChem CID 56865948) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
PubChem CID56865948
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCCC(C(=O)NCc3ncn[nH]3)C2)CC1
InChIInChI=1S/C15H26N6O/c1-20-7-4-13(5-8-20)21-6-2-3-12(10-21)15(22)16-9-14-17-11-18-19-14/h11-13H,2-10H2,1H3,(H,16,22)(H,17,18,19)
InChIKeyJZZYPUKMDHUTRB-UHFFFAOYSA-N
XLogP0.23
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (CID 56865948) is 1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is CN1CCC(N2CCCC(C(=O)NCc3ncn[nH]3)C2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JZZYPUKMDHUTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-20-7-4-13(5-8-20)21-6-2-3-12(10-21)15(22)16-9-14-17-11-18-19-14/h11-13H,2-10H2,1H3,(H,16,22)(H,17,18,19).
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56865948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).