4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide

C19H27ClN2O2 — CID 110620731

IUPAC4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
SMILESCC1CCN(C(C)CNC(=O)CCC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H27ClN2O2/c1-14-9-11-22(12-10-14)15(2)13-21-19(24)8-7-18(23)16-5-3-4-6-17(16)20/h3-6,14-15H,7-13H2,1-2H3,(H,21,24)
InChIKeyRFBYEBMUIMRYAH-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.54
Rot. Bonds7

About 4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide

4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide (PubChem CID 110620731) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
PubChem CID110620731
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
SMILESCC1CCN(C(C)CNC(=O)CCC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H27ClN2O2/c1-14-9-11-22(12-10-14)15(2)13-21-19(24)8-7-18(23)16-5-3-4-6-17(16)20/h3-6,14-15H,7-13H2,1-2H3,(H,21,24)
InChIKeyRFBYEBMUIMRYAH-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide
CID 55658916
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 94811013
2-(2-methoxyphenoxy)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 112502471
4-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide
CID 110605973
2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 120704077
2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 112502530
1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 110301812
N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52516514
4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide
CID 110627614
7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
CID 119866531
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 86853139

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide (CID 110620731) is 4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide is CC1CCN(C(C)CNC(=O)CCC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide?
The InChIKey is RFBYEBMUIMRYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-14-9-11-22(12-10-14)15(2)13-21-19(24)8-7-18(23)16-5-3-4-6-17(16)20/h3-6,14-15H,7-13H2,1-2H3,(H,21,24).
What are the key properties of 4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide?
4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide has a molecular weight of 350.89 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide is sourced from PubChem (CID 110620731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).