N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide

C21H23ClN2O3 — CID 163315548

IUPACN-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1
InChIInChI=1S/C21H23ClN2O3/c1-2-20(26)23-18-12-15(22)8-9-17(18)21(27)24-11-10-16(19(25)13-24)14-6-4-3-5-7-14/h3-9,12,16,19,25H,2,10-11,13H2,1H3,(H,23,26)/t16-,19+/m0/s1
InChIKeyWUTNXONEDFWRNI-QFBILLFUSA-N
MW386.88 g/mol
LogP3.68
Rot. Bonds4

About N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide

N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide (PubChem CID 163315548) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide
PubChem CID163315548
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1
InChIInChI=1S/C21H23ClN2O3/c1-2-20(26)23-18-12-15(22)8-9-17(18)21(27)24-11-10-16(19(25)13-24)14-6-4-3-5-7-14/h3-9,12,16,19,25H,2,10-11,13H2,1H3,(H,23,26)/t16-,19+/m0/s1
InChIKeyWUTNXONEDFWRNI-QFBILLFUSA-N
XLogP3.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide
CID 131910409
N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 133135233
N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 131913533
4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide
CID 131943407
N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide
CID 146044642
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55727828
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536696
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]pentanamide
CID 43903944
4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide
CID 131912914
[2-(benzylamino)-4-chlorophenyl]-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
CID 68511064

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide (CID 163315548) is N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide is CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1.
What is the InChIKey of N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide?
The InChIKey is WUTNXONEDFWRNI-QFBILLFUSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-2-20(26)23-18-12-15(22)8-9-17(18)21(27)24-11-10-16(19(25)13-24)14-6-4-3-5-7-14/h3-9,12,16,19,25H,2,10-11,13H2,1H3,(H,23,26)/t16-,19+/m0/s1.
What are the key properties of N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide?
N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide has a molecular weight of 386.88 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 163315548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).