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

C17H27N5O2 — CID 72839810

IUPAC1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H27N5O2/c1-3-8-22-15(18-11-19-22)12(2)20-16(23)13-6-9-21(10-7-13)17(24)14-4-5-14/h11-14H,3-10H2,1-2H3,(H,20,23)
InChIKeyOBBJBJCKBLSMLD-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.51
Rot. Bonds6

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

1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 72839810) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID72839810
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H27N5O2/c1-3-8-22-15(18-11-19-22)12(2)20-16(23)13-6-9-21(10-7-13)17(24)14-4-5-14/h11-14H,3-10H2,1-2H3,(H,20,23)
InChIKeyOBBJBJCKBLSMLD-UHFFFAOYSA-N
XLogP1.51
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (CID 72839810) is 1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is CCCn1ncnc1C(C)NC(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is OBBJBJCKBLSMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-8-22-15(18-11-19-22)12(2)20-16(23)13-6-9-21(10-7-13)17(24)14-4-5-14/h11-14H,3-10H2,1-2H3,(H,20,23).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72839810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).