N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

C15H27N5O — CID 72927971

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H27N5O/c1-5-20-14(16-10-17-20)12(4)18-15(21)13-6-8-19(9-7-13)11(2)3/h10-13H,5-9H2,1-4H3,(H,18,21)
InChIKeyPITAWFVBKFLTOJ-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.60
Rot. Bonds5

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72927971) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72927971
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H27N5O/c1-5-20-14(16-10-17-20)12(4)18-15(21)13-6-8-19(9-7-13)11(2)3/h10-13H,5-9H2,1-4H3,(H,18,21)
InChIKeyPITAWFVBKFLTOJ-UHFFFAOYSA-N
XLogP1.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
1-(2-amino-2-oxoethyl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 47000434
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 47252889
4-ethyl-5-(4-piperidinyl)-2-[2-(1H-1,2,4-triazol-1-yl)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50952670
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 50970582
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]urea
CID 51082968
1-(3-Methylbutyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53505222
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 53517601
N-cyclopentyl-3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
CID 53621133
({5-[1-(aminoacetyl)-4-piperidinyl]-4-cyclopropyl-4H-1,2,4-triazol-3-yl}methyl)dimethylamine dihydrochloride
CID 70731082
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 72927971) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is CCn1ncnc1C(C)NC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is PITAWFVBKFLTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-5-20-14(16-10-17-20)12(4)18-15(21)13-6-8-19(9-7-13)11(2)3/h10-13H,5-9H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72927971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).