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

C16H29N5O — CID 97208055

IUPAC1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCCn1cnnc1[C@@H](C)NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C16H29N5O/c1-5-8-21-11-17-19-15(21)13(4)18-16(22)14-6-9-20(10-7-14)12(2)3/h11-14H,5-10H2,1-4H3,(H,18,22)/t13-/m1/s1
InChIKeyKXVUVDFESYTBBJ-CYBMUJFWSA-N
MW307.44 g/mol
LogP1.99
Rot. Bonds6

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

1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 97208055) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID97208055
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCCn1cnnc1[C@@H](C)NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C16H29N5O/c1-5-8-21-11-17-19-15(21)13(4)18-16(22)14-6-9-20(10-7-14)12(2)3/h11-14H,5-10H2,1-4H3,(H,18,22)/t13-/m1/s1
InChIKeyKXVUVDFESYTBBJ-CYBMUJFWSA-N
XLogP1.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97192390
1-[1-(hydroxymethyl)cyclopentyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea
CID 125441931
1-(cyclopentanecarbonyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 72878892
4-(2-fluorophenoxy)-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 125447682
4-(cyclobutanecarbonylamino)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 95120085
N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 131899476
1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
CID 47000737
(2S)-3-(4-hydroxyphenyl)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]propanoic acid
CID 72936509
4,5-dimethyl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrol-1-ylthiophene-3-carboxamide
CID 125161928
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 43706301
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
CID 72871127

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (CID 97208055) is 1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is CCCn1cnnc1[C@@H](C)NC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is KXVUVDFESYTBBJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H29N5O/c1-5-8-21-11-17-19-15(21)13(4)18-16(22)14-6-9-20(10-7-14)12(2)3/h11-14H,5-10H2,1-4H3,(H,18,22)/t13-/m1/s1.
What are the key properties of 1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 97208055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).