N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide

C19H34N6O — CID 56878147

IUPACN-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)n1cnnc1CN(C)C(=O)C1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C19H34N6O/c1-15(2)25-14-20-21-18(25)13-23(4)19(26)16-6-5-9-24(12-16)17-7-10-22(3)11-8-17/h14-17H,5-13H2,1-4H3
InChIKeyNYIQMGZVRBOQQX-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.62
Rot. Bonds5

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

N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 56878147) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID56878147
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC NameN-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)n1cnnc1CN(C)C(=O)C1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C19H34N6O/c1-15(2)25-14-20-21-18(25)13-23(4)19(26)16-6-5-9-24(12-16)17-7-10-22(3)11-8-17/h14-17H,5-13H2,1-4H3
InChIKeyNYIQMGZVRBOQQX-UHFFFAOYSA-N
XLogP1.62
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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,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
2-ethyl-9-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70773141
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 71972490
N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 71972493
7-Cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72858894
1-cyclopentyl-N-methyl-6-oxo-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-piperidinecarboxamide
CID 72860922
7-cyclohexyl-2-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72861700
7-cyclohexyl-2-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895899

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (CID 56878147) is N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is CC(C)n1cnnc1CN(C)C(=O)C1CCCN(C2CCN(C)CC2)C1.
What is the InChIKey of N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NYIQMGZVRBOQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-15(2)25-14-20-21-18(25)13-23(4)19(26)16-6-5-9-24(12-16)17-7-10-22(3)11-8-17/h14-17H,5-13H2,1-4H3.
What are the key properties of N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpiperidin-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56878147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).