(2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide

C17H22ClN3O3 — CID 164630204

IUPAC(2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide
SMILESNC(=O)[C@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C17H22ClN3O3/c18-13-4-1-11(2-5-13)15-10-21(7-8-24-15)17(23)20-14-6-3-12(9-14)16(19)22/h1-2,4-5,12,14-15H,3,6-10H2,(H2,19,22)(H,20,23)/t12-,14+,15-/m0/s1
InChIKeyHLHAZRUYALDETB-CFVMTHIKSA-N
MW351.83 g/mol
LogP2.08
Rot. Bonds3

About (2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide

(2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide (PubChem CID 164630204) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is (2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide
PubChem CID164630204
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name(2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide
SMILESNC(=O)[C@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C17H22ClN3O3/c18-13-4-1-11(2-5-13)15-10-21(7-8-24-15)17(23)20-14-6-3-12(9-14)16(19)22/h1-2,4-5,12,14-15H,3,6-10H2,(H2,19,22)(H,20,23)/t12-,14+,15-/m0/s1
InChIKeyHLHAZRUYALDETB-CFVMTHIKSA-N
XLogP2.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
(2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide
CID 94828080
N-cyclopentyl-2-(4-methylphenyl)morpholine-4-carboxamide
CID 121134941
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide
CID 100850236
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide (CID 164630204) is (2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide is NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1.
What is the InChIKey of (2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide?
The InChIKey is HLHAZRUYALDETB-CFVMTHIKSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-13-4-1-11(2-5-13)15-10-21(7-8-24-15)17(23)20-14-6-3-12(9-14)16(19)22/h1-2,4-5,12,14-15H,3,6-10H2,(H2,19,22)(H,20,23)/t12-,14+,15-/m0/s1.
What are the key properties of (2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide?
(2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 164630204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).