N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide

C18H27N3O2 — CID 119684908

IUPACN,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCCNC1
InChIInChI=1S/C18H27N3O2/c1-13(15-5-4-10-19-12-15)11-17(22)20-16-8-6-14(7-9-16)18(23)21(2)3/h6-9,13,15,19H,4-5,10-12H2,1-3H3,(H,20,22)
InChIKeyQCZLEMSRYZJYFG-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.35
Rot. Bonds5

About N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide

N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide (PubChem CID 119684908) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
PubChem CID119684908
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCCNC1
InChIInChI=1S/C18H27N3O2/c1-13(15-5-4-10-19-12-15)11-17(22)20-16-8-6-14(7-9-16)18(23)21(2)3/h6-9,13,15,19H,4-5,10-12H2,1-3H3,(H,20,22)
InChIKeyQCZLEMSRYZJYFG-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride
CID 119739180
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N,N-dimethyl-4-[(2-piperidin-3-ylacetyl)amino]benzamide
CID 62676306
N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119749180
4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885625
N-[4-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119712378
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The IUPAC name of N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide (CID 119684908) is N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The canonical SMILES for N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide is CC(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCCNC1.
What is the InChIKey of N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The InChIKey is QCZLEMSRYZJYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(15-5-4-10-19-12-15)11-17(22)20-16-8-6-14(7-9-16)18(23)21(2)3/h6-9,13,15,19H,4-5,10-12H2,1-3H3,(H,20,22).
What are the key properties of N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide?
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide has a molecular weight of 317.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide is sourced from PubChem (CID 119684908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).