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

C17H27N5O2 — CID 72852342

IUPAC1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1nncn1C(C)C
InChIInChI=1S/C17H27N5O2/c1-11(2)22-10-18-20-15(22)12(3)19-16(23)13-6-8-21(9-7-13)17(24)14-4-5-14/h10-14H,4-9H2,1-3H3,(H,19,23)
InChIKeyIHYJSGOFEQNLLY-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.68
Rot. Bonds5

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

1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 72852342) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID72852342
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1nncn1C(C)C
InChIInChI=1S/C17H27N5O2/c1-11(2)22-10-18-20-15(22)12(3)19-16(23)13-6-8-21(9-7-13)17(24)14-4-5-14/h10-14H,4-9H2,1-3H3,(H,19,23)
InChIKeyIHYJSGOFEQNLLY-UHFFFAOYSA-N
XLogP1.68
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.68
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
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
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
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56891368
({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
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532
1-(cyclopropylcarbonyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72839810
N-[cyclopropyl(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72870669

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (CID 72852342) is 1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1nncn1C(C)C.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is IHYJSGOFEQNLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-11(2)22-10-18-20-15(22)12(3)19-16(23)13-6-8-21(9-7-13)17(24)14-4-5-14/h10-14H,4-9H2,1-3H3,(H,19,23).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72852342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).