[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C28H41N3O2 — CID 20624927

IUPAC[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCCN(C)CCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C28H41N3O2/c1-3-30(2)20-12-5-4-6-13-21-31-22-18-25(19-23-31)33-28(32)29-27-17-11-10-16-26(27)24-14-8-7-9-15-24/h7-11,14-17,25H,3-6,12-13,18-23H2,1-2H3,(H,29,32)
InChIKeyZBCBBKCDCVHAJZ-UHFFFAOYSA-N
MW451.66 g/mol
LogP6.27
Rot. Bonds12

About [1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 20624927) has the molecular formula C28H41N3O2 and a molecular weight of 451.66 g/mol. Its IUPAC name is [1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID20624927
Molecular FormulaC28H41N3O2
Molecular Weight451.66 g/mol
Exact Mass451.32
IUPAC Name[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCCN(C)CCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C28H41N3O2/c1-3-30(2)20-12-5-4-6-13-21-31-22-18-25(19-23-31)33-28(32)29-27-17-11-10-16-26(27)24-14-8-7-9-15-24/h7-11,14-17,25H,3-6,12-13,18-23H2,1-2H3,(H,29,32)
InChIKeyZBCBBKCDCVHAJZ-UHFFFAOYSA-N
XLogP6.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.66
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
[1-[9-[(3,5-dichloro-4-hydroxyphenyl)methyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 44610652
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
[1-[10-[methyl-[2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethyl]amino]decyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 70947271
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
[1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624858
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436
[1-[9-[(5-fluoro-2-hydroxybenzoyl)-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 44610665
[1-[9-[(3,5-dichloro-2-hydroxybenzoyl)-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 44610656
benzyl N-methyl-N-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamate
CID 58058123

Frequently Asked Questions

What is the IUPAC name of [1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 20624927) is [1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CCN(C)CCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is ZBCBBKCDCVHAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O2/c1-3-30(2)20-12-5-4-6-13-21-31-22-18-25(19-23-31)33-28(32)29-27-17-11-10-16-26(27)24-14-8-7-9-15-24/h7-11,14-17,25H,3-6,12-13,18-23H2,1-2H3,(H,29,32).
What are the key properties of [1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 451.66 g/mol, XLogP of 6.27, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 20624927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).