N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide

C26H33N3O3 — CID 46655762

IUPACN-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N3O3/c1-26(2,3)22-11-9-20(10-12-22)24(31)28-18-23(30)29-15-13-21(14-16-29)25(32)27-17-19-7-5-4-6-8-19/h4-12,21H,13-18H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyUZXPLZYVHQZPDN-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.27
Rot. Bonds6

About N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide

N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide (PubChem CID 46655762) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
PubChem CID46655762
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N3O3/c1-26(2,3)22-11-9-20(10-12-22)24(31)28-18-23(30)29-15-13-21(14-16-29)25(32)27-17-19-7-5-4-6-8-19/h4-12,21H,13-18H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyUZXPLZYVHQZPDN-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533814
4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
CID 36802749
N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
CID 119692938
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499358
N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
CID 87024119
N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602031
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 136579023
1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
1-(4-tert-butylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003956

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide (CID 46655762) is N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide?
The InChIKey is UZXPLZYVHQZPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-26(2,3)22-11-9-20(10-12-22)24(31)28-18-23(30)29-15-13-21(14-16-29)25(32)27-17-19-7-5-4-6-8-19/h4-12,21H,13-18H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide?
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 46655762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).