tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate

C21H32N2O3 — CID 55462555

IUPACtert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate
SMILESCCCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C21H32N2O3/c1-5-13-22(15-17-10-7-6-8-11-17)19(24)18-12-9-14-23(16-18)20(25)26-21(2,3)4/h6-8,10-11,18H,5,9,12-16H2,1-4H3
InChIKeyNCHIDTHLNRZSAL-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.07
Rot. Bonds5

About tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 55462555) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate
PubChem CID55462555
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Nametert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate
SMILESCCCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C21H32N2O3/c1-5-13-22(15-17-10-7-6-8-11-17)19(24)18-12-9-14-23(16-18)20(25)26-21(2,3)4/h6-8,10-11,18H,5,9,12-16H2,1-4H3
InChIKeyNCHIDTHLNRZSAL-UHFFFAOYSA-N
XLogP4.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 71635208
tert-butyl (3S)-3-[(4-cyanophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
CID 97177316
tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate
CID 84556152
N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344215
tert-butyl (3S)-3-[(4-bromophenyl)methyl-cyclopropylcarbamoyl]piperidine-1-carboxylate
CID 97171675
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120648128
tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 156710383
tert-butyl 2-[benzyl(2-hydroxyethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 78854083
methyl 3-[benzyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 55513167
tert-butyl 3-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]piperidine-1-carboxylate
CID 55441174
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
tert-butyl (3S)-3-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate
CID 38370609

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate (CID 55462555) is tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate is CCCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is NCHIDTHLNRZSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-5-13-22(15-17-10-7-6-8-11-17)19(24)18-12-9-14-23(16-18)20(25)26-21(2,3)4/h6-8,10-11,18H,5,9,12-16H2,1-4H3.
What are the key properties of tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 360.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 55462555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).