1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide

C26H33N3O3 — CID 41499358

IUPAC1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N3O3/c1-26(2,3)21-11-9-19(10-12-21)24(31)27-16-13-23(30)29-17-14-20(15-18-29)25(32)28-22-7-5-4-6-8-22/h4-12,20H,13-18H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyCNKMDGARTRJYFP-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.98
Rot. Bonds6

About 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide

1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 41499358) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide
PubChem CID41499358
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N3O3/c1-26(2,3)21-11-9-19(10-12-21)24(31)27-16-13-23(30)29-17-14-20(15-18-29)25(32)28-22-7-5-4-6-8-22/h4-12,20H,13-18H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyCNKMDGARTRJYFP-UHFFFAOYSA-N
XLogP3.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349224
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
N-[3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzamide;hydrochloride
CID 119423345
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-tert-butylbenzamide
CID 9296439
tert-butyl 4-[[4-(2-phenylethylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 45280927
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063342
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide (CID 41499358) is 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is CNKMDGARTRJYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-26(2,3)21-11-9-19(10-12-21)24(31)27-16-13-23(30)29-17-14-20(15-18-29)25(32)28-22-7-5-4-6-8-22/h4-12,20H,13-18H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide?
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 41499358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).