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

C18H27N3O2 — CID 42747272

IUPACN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-13(2)17(22)19-14-8-9-16(20(3)4)15(12-14)18(23)21-10-6-5-7-11-21/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,19,22)
InChIKeyBERNWGRTXIEVLP-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.97
Rot. Bonds4

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

N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide (PubChem CID 42747272) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
PubChem CID42747272
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-13(2)17(22)19-14-8-9-16(20(3)4)15(12-14)18(23)21-10-6-5-7-11-21/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,19,22)
InChIKeyBERNWGRTXIEVLP-UHFFFAOYSA-N
XLogP2.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 4666114
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-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 42659108
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 3951252
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
1-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]urea
CID 42747797

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide (CID 42747272) is N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide?
The InChIKey is BERNWGRTXIEVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)17(22)19-14-8-9-16(20(3)4)15(12-14)18(23)21-10-6-5-7-11-21/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,19,22).
What are the key properties of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide?
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 42747272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).