5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide

C22H33N3O2 — CID 1063157

IUPAC5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCC(C)CC1
InChIInChI=1S/C22H33N3O2/c1-15(2)14-23-22(27)19-13-18(24-21(26)17-5-4-6-17)7-8-20(19)25-11-9-16(3)10-12-25/h7-8,13,15-17H,4-6,9-12,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyUDIKLONVECPDEC-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.05
Rot. Bonds6

About 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide

5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide (PubChem CID 1063157) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
PubChem CID1063157
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCC(C)CC1
InChIInChI=1S/C22H33N3O2/c1-15(2)14-23-22(27)19-13-18(24-21(26)17-5-4-6-17)7-8-20(19)25-11-9-16(3)10-12-25/h7-8,13,15-17H,4-6,9-12,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyUDIKLONVECPDEC-UHFFFAOYSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.05
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

2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide
CID 42751073
5-(cyclobutanecarbonylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757193
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063125
5-[(2-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063129
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42752967
5-(cyclopentanecarbonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
CID 1064418
5-[(2,6-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4267155
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-[(4-nitrophenyl)carbamoylamino]benzamide
CID 42751524
5-(4-chlorobutanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4297943
5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1064068
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4207320

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide (CID 1063157) is 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCC(C)CC1.
What is the InChIKey of 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The InChIKey is UDIKLONVECPDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-15(2)14-23-22(27)19-13-18(24-21(26)17-5-4-6-17)7-8-20(19)25-11-9-16(3)10-12-25/h7-8,13,15-17H,4-6,9-12,14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide has a molecular weight of 371.53 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1063157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).