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

C18H27N3O2 — CID 119714059

IUPACN,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C18H27N3O2/c1-12-6-7-14(18(23)19-3)10-16(12)21-17(22)9-13(2)15-5-4-8-20-11-15/h6-7,10,13,15,20H,4-5,8-9,11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyMYFBXBDDTBEWQT-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.32
Rot. Bonds5

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

N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide (PubChem CID 119714059) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide
PubChem CID119714059
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C18H27N3O2/c1-12-6-7-14(18(23)19-3)10-16(12)21-17(22)9-13(2)15-5-4-8-20-11-15/h6-7,10,13,15,20H,4-5,8-9,11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyMYFBXBDDTBEWQT-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119714058
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714185
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119711254
3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide?
The IUPAC name of N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide (CID 119714059) is N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide.
What is the SMILES notation for N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide?
The canonical SMILES for N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide is CNC(=O)c1ccc(C)c(NC(=O)CC(C)C2CCCNC2)c1.
What is the InChIKey of N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide?
The InChIKey is MYFBXBDDTBEWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-6-7-14(18(23)19-3)10-16(12)21-17(22)9-13(2)15-5-4-8-20-11-15/h6-7,10,13,15,20H,4-5,8-9,11H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide?
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide has a molecular weight of 317.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide is sourced from PubChem (CID 119714059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).