[(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate

C20H31N3O3 — CID 175009875

IUPAC[(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate
SMILESCN1CCC(C(=O)NOC(=O)N(CCc2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)23(15-10-16-8-6-5-7-9-16)19(25)26-21-18(24)17-11-13-22(4)14-12-17/h5-9,17H,10-15H2,1-4H3,(H,21,24)
InChIKeyQNJWPXNZWADHPU-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.84
Rot. Bonds4

About [(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate

[(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate (PubChem CID 175009875) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is [(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name[(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate
PubChem CID175009875
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name[(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate
SMILESCN1CCC(C(=O)NOC(=O)N(CCc2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)23(15-10-16-8-6-5-7-9-16)19(25)26-21-18(24)17-11-13-22(4)14-12-17/h5-9,17H,10-15H2,1-4H3,(H,21,24)
InChIKeyQNJWPXNZWADHPU-UHFFFAOYSA-N
XLogP2.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate?
The IUPAC name of [(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate (CID 175009875) is [(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate.
What is the SMILES notation for [(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate?
The canonical SMILES for [(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate is CN1CCC(C(=O)NOC(=O)N(CCc2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of [(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate?
The InChIKey is QNJWPXNZWADHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-20(2,3)23(15-10-16-8-6-5-7-9-16)19(25)26-21-18(24)17-11-13-22(4)14-12-17/h5-9,17H,10-15H2,1-4H3,(H,21,24).
What are the key properties of [(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate?
[(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate has a molecular weight of 361.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 175009875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).