tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate

C25H31N3O4 — CID 45280922

IUPACtert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C25H31N3O4/c1-25(2,3)32-24(31)28-14-12-19(13-15-28)23(30)27-21-11-7-10-20(16-21)22(29)26-17-18-8-5-4-6-9-18/h4-11,16,19H,12-15,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyYDMIJLWCKLVHRR-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.20
Rot. Bonds5

About tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 45280922) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID45280922
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Nametert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C25H31N3O4/c1-25(2,3)32-24(31)28-14-12-19(13-15-28)23(30)27-21-11-7-10-20(16-21)22(29)26-17-18-8-5-4-6-9-18/h4-11,16,19H,12-15,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyYDMIJLWCKLVHRR-UHFFFAOYSA-N
XLogP4.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide
CID 3146924
N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-nitrobenzamide hydrochloride
CID 14783868
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 39994248
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-iodobenzoyl)amino]benzamide
CID 155664128
3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664130
N-phenyl-2-(piperidine-1-carbonyl)benzamide
CID 728832
N-[2-[4-(4-Methylphenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788870
N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 723431
N1-phenyl-4-benzoylpiperidine-1-carboxamide
CID 2740754
RY796
CID 71719898
methyl N-[3-[[4-(diethylcarbamoyl)phenyl]-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]phenyl]carbamate
CID 57397760

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate (CID 45280922) is tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1.
What is the InChIKey of tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is YDMIJLWCKLVHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-25(2,3)32-24(31)28-14-12-19(13-15-28)23(30)27-21-11-7-10-20(16-21)22(29)26-17-18-8-5-4-6-9-18/h4-11,16,19H,12-15,17H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 437.54 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 45280922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).