tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate

C20H31N3O3 — CID 60620853

IUPACtert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)21-13-9-12-18(24)22-16-10-5-6-11-17(16)23-14-7-4-8-15-23/h5-6,10-11H,4,7-9,12-15H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyREMPZROIZMBZHF-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.92
Rot. Bonds6

About tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate

tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate (PubChem CID 60620853) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate
PubChem CID60620853
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)21-13-9-12-18(24)22-16-10-5-6-11-17(16)23-14-7-4-8-15-23/h5-6,10-11H,4,7-9,12-15H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyREMPZROIZMBZHF-UHFFFAOYSA-N
XLogP3.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.92
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

tert-butyl N-[4-(2-chloroanilino)-4-oxobutyl]carbamate
CID 9032052
tert-butyl N-methyl-N-[4-oxo-4-(2-pyrrolidin-1-ylanilino)butyl]carbamate
CID 60595272
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
N-[4-[2-(azepan-1-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 24660506
5-chloro-N-(2-piperidin-1-ylphenyl)pentanamide
CID 43167914
5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate
CID 39869621
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate
CID 79042869
2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
CID 22831106

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate (CID 60620853) is tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate is CC(C)(C)OC(=O)NCCCC(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate?
The InChIKey is REMPZROIZMBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)21-13-9-12-18(24)22-16-10-5-6-11-17(16)23-14-7-4-8-15-23/h5-6,10-11H,4,7-9,12-15H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate?
tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate has a molecular weight of 361.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate is sourced from PubChem (CID 60620853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).