N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H27N5O — CID 119728865

IUPACN-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C2CC2)C(C)C2CC2)nnn1C1CCNCC1
InChIInChI=1S/C17H27N5O/c1-11(13-3-4-13)21(14-5-6-14)17(23)16-12(2)22(20-19-16)15-7-9-18-10-8-15/h11,13-15,18H,3-10H2,1-2H3
InChIKeyPIDSDUSILCQXSS-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.91
Rot. Bonds5

About N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119728865) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119728865
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C2CC2)C(C)C2CC2)nnn1C1CCNCC1
InChIInChI=1S/C17H27N5O/c1-11(13-3-4-13)21(14-5-6-14)17(23)16-12(2)22(20-19-16)15-7-9-18-10-8-15/h11,13-15,18H,3-10H2,1-2H3
InChIKeyPIDSDUSILCQXSS-UHFFFAOYSA-N
XLogP1.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119728865) is N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)N(C2CC2)C(C)C2CC2)nnn1C1CCNCC1.
What is the InChIKey of N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is PIDSDUSILCQXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-11(13-3-4-13)21(14-5-6-14)17(23)16-12(2)22(20-19-16)15-7-9-18-10-8-15/h11,13-15,18H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119728865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).