4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide

C20H31N3O2 — CID 110822345

IUPAC4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-14(2)21-19(25)23-12-10-17(11-13-23)22-18(24)15-6-8-16(9-7-15)20(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyBKXTXCROMRFOPD-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.30
Rot. Bonds3

About 4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide

4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 110822345) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID110822345
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-14(2)21-19(25)23-12-10-17(11-13-23)22-18(24)15-6-8-16(9-7-15)20(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyBKXTXCROMRFOPD-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404
4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822363
4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
CID 108561415
4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55576443
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113076586
N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide
CID 110822364
4-tert-butyl-N-[3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 32541124
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 110822375
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide (CID 110822345) is 4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is BKXTXCROMRFOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)21-19(25)23-12-10-17(11-13-23)22-18(24)15-6-8-16(9-7-15)20(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,21,25)(H,22,24).
What are the key properties of 4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 110822345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).