N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C18H30N6O2 — CID 119786134

IUPACN-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(C(=O)N(C)C)CCCC2)nnn1C1CCNCC1
InChIInChI=1S/C18H30N6O2/c1-13-15(21-22-24(13)14-6-10-19-11-7-14)16(25)20-12-18(8-4-5-9-18)17(26)23(2)3/h14,19H,4-12H2,1-3H3,(H,20,25)
InChIKeyASWFVXLFMMDSBK-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.89
Rot. Bonds5

About N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119786134) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119786134
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(C(=O)N(C)C)CCCC2)nnn1C1CCNCC1
InChIInChI=1S/C18H30N6O2/c1-13-15(21-22-24(13)14-6-10-19-11-7-14)16(25)20-12-18(8-4-5-9-18)17(26)23(2)3/h14,19H,4-12H2,1-3H3,(H,20,25)
InChIKeyASWFVXLFMMDSBK-UHFFFAOYSA-N
XLogP0.89
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119786134) is N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCC2(C(=O)N(C)C)CCCC2)nnn1C1CCNCC1.
What is the InChIKey of N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is ASWFVXLFMMDSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-13-15(21-22-24(13)14-6-10-19-11-7-14)16(25)20-12-18(8-4-5-9-18)17(26)23(2)3/h14,19H,4-12H2,1-3H3,(H,20,25).
What are the key properties of N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119786134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).