N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide

C17H23ClN2O — CID 66565177

IUPACN-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide
SMILESO=C(CCl)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H23ClN2O/c18-11-17(21)20(15-8-9-15)16-7-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2/t16-/m0/s1
InChIKeyARNXIEASABXUFW-INIZCTEOSA-N
MW306.84 g/mol
LogP2.88
Rot. Bonds5

About N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide

N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide (PubChem CID 66565177) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide
PubChem CID66565177
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide
SMILESO=C(CCl)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H23ClN2O/c18-11-17(21)20(15-8-9-15)16-7-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2/t16-/m0/s1
InChIKeyARNXIEASABXUFW-INIZCTEOSA-N
XLogP2.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
CID 66565237
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-2-chloro-N-cyclopropylacetamide
CID 96553005
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol
CID 66565068
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
tert-butyl N-(1-benzylpiperidin-3-yl)-N-tert-butylcarbamate
CID 140627422

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide?
The IUPAC name of N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide (CID 66565177) is N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide.
What is the SMILES notation for N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide?
The canonical SMILES for N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide is O=C(CCl)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide?
The InChIKey is ARNXIEASABXUFW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-11-17(21)20(15-8-9-15)16-7-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2/t16-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide?
N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide has a molecular weight of 306.84 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide is sourced from PubChem (CID 66565177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).