(3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide

C17H27N5O3 — CID 97135815

IUPAC(3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCn1cnnc1CNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H27N5O3/c1-25-9-8-21-12-19-20-15(21)10-18-17(24)13-6-7-16(23)22(11-13)14-4-2-3-5-14/h12-14H,2-11H2,1H3,(H,18,24)/t13-/m1/s1
InChIKeyRZAYHWHUSIZGQM-CYBMUJFWSA-N
MW349.44 g/mol
LogP0.72
Rot. Bonds7

About (3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide

(3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97135815) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID97135815
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name(3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCCn1cnnc1CNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H27N5O3/c1-25-9-8-21-12-19-20-15(21)10-18-17(24)13-6-7-16(23)22(11-13)14-4-2-3-5-14/h12-14H,2-11H2,1H3,(H,18,24)/t13-/m1/s1
InChIKeyRZAYHWHUSIZGQM-CYBMUJFWSA-N
XLogP0.72
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
CID 131899744
1-cyclopentyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45171809
1-cyclopentyl-N-[(2,3-difluoro-4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817350
(3S)-1-cycloheptyl-N-(2-methoxy-2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 42286966
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91783809
(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97130097
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
(3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42241808
1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45185889
6-oxo-1-(2-phenylethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 45199030
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide (CID 97135815) is (3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide is COCCn1cnnc1CNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is RZAYHWHUSIZGQM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-25-9-8-21-12-19-20-15(21)10-18-17(24)13-6-7-16(23)22(11-13)14-4-2-3-5-14/h12-14H,2-11H2,1H3,(H,18,24)/t13-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide?
(3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97135815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).