(1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate

C23H30N2O2 — CID 162670860

IUPAC(1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OCC2CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O2/c1-18(2)21-10-12-22(13-11-21)24-23(26)27-17-20-9-6-14-25(16-20)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,20H,6,9,14-17H2,1-2H3,(H,24,26)
InChIKeyLNSFUBYHUNTELH-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.27
Rot. Bonds6

About (1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate

(1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate (PubChem CID 162670860) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name(1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate
PubChem CID162670860
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OCC2CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O2/c1-18(2)21-10-12-22(13-11-21)24-23(26)27-17-20-9-6-14-25(16-20)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,20H,6,9,14-17H2,1-2H3,(H,24,26)
InChIKeyLNSFUBYHUNTELH-UHFFFAOYSA-N
XLogP5.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
diethyl 2-[(1-benzylpiperidin-3-yl)methyl]propanedioate
CID 2780386
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925293
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
1-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-(4-cyanophenyl)urea
CID 52513610
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate
CID 162665269
1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine
CID 83982592
2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide
CID 66565227
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of (1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate (CID 162670860) is (1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for (1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for (1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate is CC(C)c1ccc(NC(=O)OCC2CCCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of (1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is LNSFUBYHUNTELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(2)21-10-12-22(13-11-21)24-23(26)27-17-20-9-6-14-25(16-20)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,20H,6,9,14-17H2,1-2H3,(H,24,26).
What are the key properties of (1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate?
(1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 366.51 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-3-yl)methyl N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 162670860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).