N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide

C22H27ClN2O — CID 57394152

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O/c1-17(18-7-9-21(23)10-8-18)24-22(26)13-16-25-14-11-20(12-15-25)19-5-3-2-4-6-19/h2-10,17,20H,11-16H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyZCKRXPGKUHMBHL-KRWDZBQOSA-N
MW370.92 g/mol
LogP4.79
Rot. Bonds6

About N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide (PubChem CID 57394152) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide
PubChem CID57394152
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O/c1-17(18-7-9-21(23)10-8-18)24-22(26)13-16-25-14-11-20(12-15-25)19-5-3-2-4-6-19/h2-10,17,20H,11-16H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyZCKRXPGKUHMBHL-KRWDZBQOSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(1-phenylethylamino)propyl]piperidine-4-carboxamide
CID 56525511
2-(4-aminopiperidin-1-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 81353847
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 79328175
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751728
3-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 95712844
3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589378
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 124729607
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072221
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide (CID 57394152) is N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide is C[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The InChIKey is ZCKRXPGKUHMBHL-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-17(18-7-9-21(23)10-8-18)24-22(26)13-16-25-14-11-20(12-15-25)19-5-3-2-4-6-19/h2-10,17,20H,11-16H2,1H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide has a molecular weight of 370.92 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide is sourced from PubChem (CID 57394152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).