benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate

C24H29N3O4 — CID 55892585

IUPACbenzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate
SMILESO=C(CCCNC(=O)OCc1ccccc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C24H29N3O4/c28-22(13-8-14-25-24(30)31-18-19-9-3-1-4-10-19)26-21-12-7-11-20(17-21)23(29)27-15-5-2-6-16-27/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2,(H,25,30)(H,26,28)
InChIKeyHVNVTBHQLSEKHF-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.96
Rot. Bonds8

About benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate

benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate (PubChem CID 55892585) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate
PubChem CID55892585
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Namebenzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate
SMILESO=C(CCCNC(=O)OCc1ccccc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C24H29N3O4/c28-22(13-8-14-25-24(30)31-18-19-9-3-1-4-10-19)26-21-12-7-11-20(17-21)23(29)27-15-5-2-6-16-27/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2,(H,25,30)(H,26,28)
InChIKeyHVNVTBHQLSEKHF-UHFFFAOYSA-N
XLogP3.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-oxo-5-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 110353707
N-[3-(azepane-1-carbonyl)phenyl]-4-chlorobutanamide
CID 26159666
N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
CID 54791960
4-amino-N-[3-(piperidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 120560909
3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 120609510
3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122077035
3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-benzylbenzamide
CID 54844455
benzyl N-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butyl]carbamate
CID 55822163
3-phenyl-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168674
N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55748980
benzyl N-[4-[[2-(3-hydroxyphenyl)pyrimidin-5-yl]amino]-4-oxobutyl]carbamate
CID 56520901
benzyl N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]carbamate
CID 55837379

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate?
The IUPAC name of benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate (CID 55892585) is benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate.
What is the SMILES notation for benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate?
The canonical SMILES for benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate is O=C(CCCNC(=O)OCc1ccccc1)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate?
The InChIKey is HVNVTBHQLSEKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c28-22(13-8-14-25-24(30)31-18-19-9-3-1-4-10-19)26-21-12-7-11-20(17-21)23(29)27-15-5-2-6-16-27/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2,(H,25,30)(H,26,28).
What are the key properties of benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate?
benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate has a molecular weight of 423.51 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate is sourced from PubChem (CID 55892585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).