5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide

C18H25N3O2 — CID 42757156

IUPAC5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C18H25N3O2/c1-12-7-9-21(10-8-12)17-6-5-15(19-13(2)22)11-16(17)18(23)20-14-3-4-14/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPQQWSEFMCOULRE-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.77
Rot. Bonds4

About 5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide

5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 42757156) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID42757156
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C18H25N3O2/c1-12-7-9-21(10-8-12)17-6-5-15(19-13(2)22)11-16(17)18(23)20-14-3-4-14/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPQQWSEFMCOULRE-UHFFFAOYSA-N
XLogP2.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
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-cyclohexyl-5-(cyclopropanecarbonylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 4265195
N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide
CID 4645895
N-[3-(cyclopropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide
CID 3262158
N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
CID 1067391
5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 4313980
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 1066572
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3299631
N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065596
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543
N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065604
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807328
5-[(4-bromobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807368

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide (CID 42757156) is 5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide is CC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC2CC2)c1.
What is the InChIKey of 5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is PQQWSEFMCOULRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-7-9-21(10-8-12)17-6-5-15(19-13(2)22)11-16(17)18(23)20-14-3-4-14/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 42757156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).