tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate

C29H41N3O4 — CID 143935501

IUPACtert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate
SMILESCC(C)(C)OC(=O)N1CCNCC1.O=C(NC(Cc1ccccc1)c1ccccc1)OC1CCCC1
InChIInChI=1S/C20H23NO2.C9H18N2O2/c22-20(23-18-13-7-8-14-18)21-19(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h1-6,9-12,18-19H,7-8,13-15H2,(H,21,22);10H,4-7H2,1-3H3
InChIKeyDLMFAJMRYHTZBL-UHFFFAOYSA-N
MW495.66 g/mol
LogP5.47
Rot. Bonds5

About tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate

tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate (PubChem CID 143935501) has the molecular formula C29H41N3O4 and a molecular weight of 495.66 g/mol. Its IUPAC name is tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate
PubChem CID143935501
Molecular FormulaC29H41N3O4
Molecular Weight495.66 g/mol
Exact Mass495.31
IUPAC Nametert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate
SMILESCC(C)(C)OC(=O)N1CCNCC1.O=C(NC(Cc1ccccc1)c1ccccc1)OC1CCCC1
InChIInChI=1S/C20H23NO2.C9H18N2O2/c22-20(23-18-13-7-8-14-18)21-19(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h1-6,9-12,18-19H,7-8,13-15H2,(H,21,22);10H,4-7H2,1-3H3
InChIKeyDLMFAJMRYHTZBL-UHFFFAOYSA-N
XLogP5.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.66
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl piperazine-1-carboxylate;1-cyclopentyl-3-[(1S)-1,2-diphenylethyl]urea
CID 143935484
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]carbamate
CID 14308226
tert-butyl 4-[2-(cyclohexanecarbonylamino)-2-phenylethyl]piperidine-1-carboxylate
CID 137373058
tert-butyl 4-[2-(phenylmethoxycarbonylamino)ethylamino]piperidine-1-carboxylate
CID 18971591
tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate
CID 102141553
benzyl N-(2-piperidin-4-ylpropan-2-yl)carbamate;tert-butyl 4-[2-(phenylmethoxycarbonylamino)propan-2-yl]piperidine-1-carboxylate
CID 157460194
tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 43017509
tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
CID 103700824
tert-butyl 4-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]piperidine-1-carboxylate
CID 23624856
tert-butyl 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 113257732
tert-butyl 4-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]piperidine-1-carboxylate
CID 154652435
tert-butyl 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 48735739

Frequently Asked Questions

What is the IUPAC name of tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate?
The IUPAC name of tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate (CID 143935501) is tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate.
What is the SMILES notation for tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate?
The canonical SMILES for tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate is CC(C)(C)OC(=O)N1CCNCC1.O=C(NC(Cc1ccccc1)c1ccccc1)OC1CCCC1.
What is the InChIKey of tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate?
The InChIKey is DLMFAJMRYHTZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.C9H18N2O2/c22-20(23-18-13-7-8-14-18)21-19(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h1-6,9-12,18-19H,7-8,13-15H2,(H,21,22);10H,4-7H2,1-3H3.
What are the key properties of tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate?
tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate has a molecular weight of 495.66 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl piperazine-1-carboxylate;cyclopentyl N-(1,2-diphenylethyl)carbamate is sourced from PubChem (CID 143935501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).