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

C19H27N3O2 — CID 119698553

IUPACN-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)NC2CC2)cc1)C1CCNCC1
InChIInChI=1S/C19H27N3O2/c1-13(14-8-10-20-11-9-14)12-18(23)21-16-4-2-15(3-5-16)19(24)22-17-6-7-17/h2-5,13-14,17,20H,6-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyPINSSUOSTDAPAG-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.54
Rot. Bonds6

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

N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide (PubChem CID 119698553) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
PubChem CID119698553
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)NC2CC2)cc1)C1CCNCC1
InChIInChI=1S/C19H27N3O2/c1-13(14-8-10-20-11-9-14)12-18(23)21-16-4-2-15(3-5-16)19(24)22-17-6-7-17/h2-5,13-14,17,20H,6-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyPINSSUOSTDAPAG-UHFFFAOYSA-N
XLogP2.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
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-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419
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-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide
CID 119893892
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758040

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The IUPAC name of N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide (CID 119698553) is N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The canonical SMILES for N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide is CC(CC(=O)Nc1ccc(C(=O)NC2CC2)cc1)C1CCNCC1.
What is the InChIKey of N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The InChIKey is PINSSUOSTDAPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(14-8-10-20-11-9-14)12-18(23)21-16-4-2-15(3-5-16)19(24)22-17-6-7-17/h2-5,13-14,17,20H,6-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide has a molecular weight of 329.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide is sourced from PubChem (CID 119698553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).