[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C21H27N3O2 — CID 53325336

IUPAC[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c22-13-6-14-24-15-11-18(12-16-24)26-21(25)23-20-10-5-4-9-19(20)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16,22H2,(H,23,25)
InChIKeyFBJGCUBGHZNZIT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.72
Rot. Bonds6

About [1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 53325336) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID53325336
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c22-13-6-14-24-15-11-18(12-16-24)26-21(25)23-20-10-5-4-9-19(20)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16,22H2,(H,23,25)
InChIKeyFBJGCUBGHZNZIT-UHFFFAOYSA-N
XLogP3.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
[1-[2-[6-aminohexanoyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;dihydrochloride
CID 66671725
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436
[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624927
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
[1-(9-aminononyl)piperidin-4-yl] N-(2-bromophenyl)carbamate
CID 59707180
[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 89290632
[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624887
(1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 143572443
4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium
CID 20625160

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 53325336) is [1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is NCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is FBJGCUBGHZNZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-13-6-14-24-15-11-18(12-16-24)26-21(25)23-20-10-5-4-9-19(20)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16,22H2,(H,23,25).
What are the key properties of [1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 353.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53325336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).