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

C17H24ClN3O2 — CID 4666114

IUPAC2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24ClN3O2/c1-12(18)16(22)19-13-7-8-15(20(2)3)14(11-13)17(23)21-9-5-4-6-10-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,22)
InChIKeyAAEPFLTZEWNNPA-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.94
Rot. Bonds4

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

2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide (PubChem CID 4666114) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
PubChem CID4666114
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24ClN3O2/c1-12(18)16(22)19-13-7-8-15(20(2)3)14(11-13)17(23)21-9-5-4-6-10-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,22)
InChIKeyAAEPFLTZEWNNPA-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.94
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

N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751255
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42747271
1-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-methylphenyl)urea
CID 4561226
N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide
CID 5204789
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea
CID 4310532
1-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]urea
CID 42747797
1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 42659108
3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 5204790
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 4310534
3-chloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42747317
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 3547504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide (CID 4666114) is 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide is CC(Cl)C(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is AAEPFLTZEWNNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12(18)16(22)19-13-7-8-15(20(2)3)14(11-13)17(23)21-9-5-4-6-10-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,22).
What are the key properties of 2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide?
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 337.85 g/mol, XLogP of 2.94, 4 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]propanamide is sourced from PubChem (CID 4666114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).