N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide

C19H27N5OS — CID 46982629

IUPACN-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCCC1)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C19H27N5OS/c25-19(20-12-15-4-2-1-3-5-15)23-9-6-17(7-10-23)24-13-18(21-22-24)16-8-11-26-14-16/h8,11,13-15,17H,1-7,9-10,12H2,(H,20,25)
InChIKeyRIMTZRYJLUKOKM-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.93
Rot. Bonds4

About N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide

N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide (PubChem CID 46982629) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide
PubChem CID46982629
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC NameN-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCCC1)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C19H27N5OS/c25-19(20-12-15-4-2-1-3-5-15)23-9-6-17(7-10-23)24-13-18(21-22-24)16-8-11-26-14-16/h8,11,13-15,17H,1-7,9-10,12H2,(H,20,25)
InChIKeyRIMTZRYJLUKOKM-UHFFFAOYSA-N
XLogP3.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide (CID 46982629) is N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide is O=C(NCC1CCCCC1)N1CCC(n2cc(-c3ccsc3)nn2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide?
The InChIKey is RIMTZRYJLUKOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c25-19(20-12-15-4-2-1-3-5-15)23-9-6-17(7-10-23)24-13-18(21-22-24)16-8-11-26-14-16/h8,11,13-15,17H,1-7,9-10,12H2,(H,20,25).
What are the key properties of N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide?
N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide has a molecular weight of 373.53 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(4-thiophen-3-yltriazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46982629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).