N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide

C18H27N3O2 — CID 119714137

IUPACN-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-3-20-18(23)15-4-6-16(7-5-15)21-17(22)12-13(2)14-8-10-19-11-9-14/h4-7,13-14,19H,3,8-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOEOFRCJZURSUIO-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.40
Rot. Bonds6

About N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide

N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide (PubChem CID 119714137) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
PubChem CID119714137
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-3-20-18(23)15-4-6-16(7-5-15)21-17(22)12-13(2)14-8-10-19-11-9-14/h4-7,13-14,19H,3,8-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOEOFRCJZURSUIO-UHFFFAOYSA-N
XLogP2.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758040
2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid
CID 119220363
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119669006
4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The IUPAC name of N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide (CID 119714137) is N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide.
What is the SMILES notation for N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The canonical SMILES for N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide is CCNC(=O)c1ccc(NC(=O)CC(C)C2CCNCC2)cc1.
What is the InChIKey of N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The InChIKey is OEOFRCJZURSUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-20-18(23)15-4-6-16(7-5-15)21-17(22)12-13(2)14-8-10-19-11-9-14/h4-7,13-14,19H,3,8-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide has a molecular weight of 317.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide is sourced from PubChem (CID 119714137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).