N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide

C16H23ClN2O — CID 99823532

IUPACN-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@@H](C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O/c1-12(14-4-3-5-15(17)10-14)11-19-8-6-16(7-9-19)18-13(2)20/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyXMIPUDDXMAUXGV-GFCCVEGCSA-N
MW294.83 g/mol
LogP3.04
Rot. Bonds4

About N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide

N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide (PubChem CID 99823532) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
PubChem CID99823532
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@@H](C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O/c1-12(14-4-3-5-15(17)10-14)11-19-8-6-16(7-9-19)18-13(2)20/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyXMIPUDDXMAUXGV-GFCCVEGCSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
CID 86804164
2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99828801
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905
2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843488
N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 49438404
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 111487644
1-[2-(3-chlorophenyl)propyl]piperidin-3-amine
CID 120834767
(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 99857105
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
CID 49437832
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81371801

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide (CID 99823532) is N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C[C@@H](C)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide?
The InChIKey is XMIPUDDXMAUXGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(14-4-3-5-15(17)10-14)11-19-8-6-16(7-9-19)18-13(2)20/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide?
N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide has a molecular weight of 294.83 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 99823532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).