2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide

C22H26ClN3O2 — CID 42751255

IUPAC2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESCN(C)c1ccc(NC(=O)C(Cl)c2ccccc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C22H26ClN3O2/c1-25(2)19-12-11-17(15-18(19)22(28)26-13-7-4-8-14-26)24-21(27)20(23)16-9-5-3-6-10-16/h3,5-6,9-12,15,20H,4,7-8,13-14H2,1-2H3,(H,24,27)
InChIKeyKOIYXSWVBXBWQS-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.30
Rot. Bonds5

About 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide

2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide (PubChem CID 42751255) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
PubChem CID42751255
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESCN(C)c1ccc(NC(=O)C(Cl)c2ccccc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C22H26ClN3O2/c1-25(2)19-12-11-17(15-18(19)22(28)26-13-7-4-8-14-26)24-21(27)20(23)16-9-5-3-6-10-16/h3,5-6,9-12,15,20H,4,7-8,13-14H2,1-2H3,(H,24,27)
InChIKeyKOIYXSWVBXBWQS-UHFFFAOYSA-N
XLogP4.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 1066481
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 4666114
N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide
CID 5204789
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea
CID 4310532
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
CID 3877371
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 3547504
1-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]urea
CID 42747797
2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 3538442
1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 42659108
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 4028194
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide
CID 115376593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide (CID 42751255) is 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide is CN(C)c1ccc(NC(=O)C(Cl)c2ccccc2)cc1C(=O)N1CCCCC1.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The InChIKey is KOIYXSWVBXBWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-25(2)19-12-11-17(15-18(19)22(28)26-13-7-4-8-14-26)24-21(27)20(23)16-9-5-3-6-10-16/h3,5-6,9-12,15,20H,4,7-8,13-14H2,1-2H3,(H,24,27).
What are the key properties of 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide?
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide has a molecular weight of 399.92 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 42751255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).