N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide

C15H21ClN2O — CID 81354078

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
SMILESC[C@H](NC(=O)CC1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-11(13-2-4-14(16)5-3-13)18-15(19)10-12-6-8-17-9-7-12/h2-5,11-12,17H,6-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyVBCIJUCJMMJFMV-NSHDSACASA-N
MW280.80 g/mol
LogP2.91
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide (PubChem CID 81354078) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
PubChem CID81354078
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
SMILESC[C@H](NC(=O)CC1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-11(13-2-4-14(16)5-3-13)18-15(19)10-12-6-8-17-9-7-12/h2-5,11-12,17H,6-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyVBCIJUCJMMJFMV-NSHDSACASA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81359105
N-[1-(3,4-dichlorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119686006
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 81355328
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119699865
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide (CID 81354078) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide is C[C@H](NC(=O)CC1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide?
The InChIKey is VBCIJUCJMMJFMV-NSHDSACASA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(13-2-4-14(16)5-3-13)18-15(19)10-12-6-8-17-9-7-12/h2-5,11-12,17H,6-10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide has a molecular weight of 280.80 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 81354078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).