[4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate

C24H30N2O4 — CID 22993462

IUPAC[4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1(c2ccccc2)CCN(CCCNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-20(27)30-24(22-11-6-3-7-12-22)13-17-26(18-14-24)16-8-15-25-23(28)29-19-21-9-4-2-5-10-21/h2-7,9-12H,8,13-19H2,1H3,(H,25,28)
InChIKeyHHGUUXIZMCLUKF-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.86
Rot. Bonds8

About [4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate

[4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate (PubChem CID 22993462) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is [4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate.

Molecular Properties

Compound Name[4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate
PubChem CID22993462
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name[4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1(c2ccccc2)CCN(CCCNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c1-20(27)30-24(22-11-6-3-7-12-22)13-17-26(18-14-24)16-8-15-25-23(28)29-19-21-9-4-2-5-10-21/h2-7,9-12H,8,13-19H2,1H3,(H,25,28)
InChIKeyHHGUUXIZMCLUKF-UHFFFAOYSA-N
XLogP3.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propyl]carbamate
CID 146599653
benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397607
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[3-(8-triethylsilyloxy-6-azaspiro[2.5]octan-6-yl)propyl]carbamate
CID 66782966
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-[3-(azacyclotridec-1-yl)propyl]-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 11103740
benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate
CID 168763212
benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate
CID 151856393
benzyl N-[3-[8-[tert-butyl(dimethyl)silyl]oxy-6-azaspiro[2.5]octan-6-yl]propyl]carbamate
CID 66783504
benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate
CID 138695504
2-chloroethyl N-[3-(4-benzylpiperazin-1-yl)propyl]carbamate
CID 18430905

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate?
The IUPAC name of [4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate (CID 22993462) is [4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate.
What is the SMILES notation for [4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate?
The canonical SMILES for [4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate is CC(=O)OC1(c2ccccc2)CCN(CCCNC(=O)OCc2ccccc2)CC1.
What is the InChIKey of [4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate?
The InChIKey is HHGUUXIZMCLUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-20(27)30-24(22-11-6-3-7-12-22)13-17-26(18-14-24)16-8-15-25-23(28)29-19-21-9-4-2-5-10-21/h2-7,9-12H,8,13-19H2,1H3,(H,25,28).
What are the key properties of [4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate?
[4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate has a molecular weight of 410.51 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate is sourced from PubChem (CID 22993462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).