(3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide

C18H25ClN2O3 — CID 99792785

IUPAC(3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide
SMILESC[C@H](CNC(=O)C[C@@H](C)N1CCCCC1=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O3/c1-13(21-10-4-3-5-18(21)23)11-17(22)20-12-14(2)24-16-8-6-15(19)7-9-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyDFYKMJCWHOOKIP-ZIAGYGMSSA-N
MW352.86 g/mol
LogP3.01
Rot. Bonds7

About (3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide

(3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide (PubChem CID 99792785) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide
PubChem CID99792785
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name(3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide
SMILESC[C@H](CNC(=O)C[C@@H](C)N1CCCCC1=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O3/c1-13(21-10-4-3-5-18(21)23)11-17(22)20-12-14(2)24-16-8-6-15(19)7-9-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyDFYKMJCWHOOKIP-ZIAGYGMSSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide
CID 75431267
5-chloro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 99840939
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119335598
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
N-[2-(4-chlorophenoxy)propyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71993778
N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 71993780
N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119804666
(3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide
CID 99840830
N-[(2S)-2-(4-chlorophenoxy)propyl]-1-cyano-3-methylcyclobutane-1-carboxamide
CID 96540222
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of (3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide (CID 99792785) is (3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for (3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for (3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide is C[C@H](CNC(=O)C[C@@H](C)N1CCCCC1=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is DFYKMJCWHOOKIP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-13(21-10-4-3-5-18(21)23)11-17(22)20-12-14(2)24-16-8-6-15(19)7-9-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,20,22)/t13-,14-/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide?
(3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 352.86 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 99792785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).