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

C18H27N3O2 — CID 42747271

IUPACN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-4-8-17(22)19-14-9-10-16(20(2)3)15(13-14)18(23)21-11-6-5-7-12-21/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,22)
InChIKeyYVXFGXMASUTFLJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.12
Rot. Bonds5

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

N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide (PubChem CID 42747271) 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]butanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
PubChem CID42747271
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-4-8-17(22)19-14-9-10-16(20(2)3)15(13-14)18(23)21-11-6-5-7-12-21/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,22)
InChIKeyYVXFGXMASUTFLJ-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.12
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

N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 4666114
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 4028194
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide
CID 42747286
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
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
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
1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 42659108
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751255

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide (CID 42747271) is N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide is CCCC(=O)Nc1ccc(N(C)C)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide?
The InChIKey is YVXFGXMASUTFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-8-17(22)19-14-9-10-16(20(2)3)15(13-14)18(23)21-11-6-5-7-12-21/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,22).
What are the key properties of N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide?
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide has a molecular weight of 317.43 g/mol, XLogP of 3.12, 5 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]butanamide is sourced from PubChem (CID 42747271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).