(4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide

C19H23ClN2O2 — CID 95340345

IUPAC(4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESC=C(Cl)CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H23ClN2O2/c1-13(20)12-22(17-8-7-14-5-3-4-6-16(14)17)19(24)15-9-10-21(2)18(23)11-15/h3-6,15,17H,1,7-12H2,2H3/t15-,17-/m1/s1
InChIKeyGCQPPKHHPZIFTF-NVXWUHKLSA-N
MW346.86 g/mol
LogP3.12
Rot. Bonds4

About (4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide

(4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 95340345) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID95340345
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESC=C(Cl)CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H23ClN2O2/c1-13(20)12-22(17-8-7-14-5-3-4-6-16(14)17)19(24)15-9-10-21(2)18(23)11-15/h3-6,15,17H,1,7-12H2,2H3/t15-,17-/m1/s1
InChIKeyGCQPPKHHPZIFTF-NVXWUHKLSA-N
XLogP3.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide with MolForge

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Related Compounds

N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 95295946
N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 86783832
cis-(1S,3R)-3-[benzyl(2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 134069273
(4R)-N-cyclopropyl-1-methyl-2-oxo-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 94045823
2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119193545
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55991395
2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid
CID 129467310
tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate
CID 99579006
3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 125150139
N'-[[[amino-[[(1R)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylamino]methylidene]amino]methyl]-2-methylprop-2-enimidamide
CID 163877068
(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 94168581

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of (4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 95340345) is (4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for (4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide is C=C(Cl)CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CCc2ccccc21.
What is the InChIKey of (4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is GCQPPKHHPZIFTF-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(20)12-22(17-8-7-14-5-3-4-6-16(14)17)19(24)15-9-10-21(2)18(23)11-15/h3-6,15,17H,1,7-12H2,2H3/t15-,17-/m1/s1.
What are the key properties of (4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
(4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 95340345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).