5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide

C21H34N4O2 — CID 42751555

IUPAC5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
SMILESCC1CCN(c2ccc(NC(=O)NC(C)(C)C)cc2C(=O)NC(C)C)CC1
InChIInChI=1S/C21H34N4O2/c1-14(2)22-19(26)17-13-16(23-20(27)24-21(4,5)6)7-8-18(17)25-11-9-15(3)10-12-25/h7-8,13-15H,9-12H2,1-6H3,(H,22,26)(H2,23,24,27)
InChIKeyLFBJAWKSBPALEP-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.98
Rot. Bonds4

About 5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide

5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide (PubChem CID 42751555) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
PubChem CID42751555
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
SMILESCC1CCN(c2ccc(NC(=O)NC(C)(C)C)cc2C(=O)NC(C)C)CC1
InChIInChI=1S/C21H34N4O2/c1-14(2)22-19(26)17-13-16(23-20(27)24-21(4,5)6)7-8-18(17)25-11-9-15(3)10-12-25/h7-8,13-15H,9-12H2,1-6H3,(H,22,26)(H2,23,24,27)
InChIKeyLFBJAWKSBPALEP-UHFFFAOYSA-N
XLogP3.98
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.98
H-Bond Donors ≤ 53
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

1-tert-butyl-3-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]urea
CID 42751588
5-(tert-butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42753069
5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 42751563
5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 1063277
5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 5158041
5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42752999
5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4691475
5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 5166911
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4299183
5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 1063492
2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3884953

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide (CID 42751555) is 5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide is CC1CCN(c2ccc(NC(=O)NC(C)(C)C)cc2C(=O)NC(C)C)CC1.
What is the InChIKey of 5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
The InChIKey is LFBJAWKSBPALEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-14(2)22-19(26)17-13-16(23-20(27)24-21(4,5)6)7-8-18(17)25-11-9-15(3)10-12-25/h7-8,13-15H,9-12H2,1-6H3,(H,22,26)(H2,23,24,27).
What are the key properties of 5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide has a molecular weight of 374.53 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 42751555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).