(1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate

C17H20N4O2 — CID 10662925

IUPAC(1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate
SMILESNc1ccccc1NC(=O)OC1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H20N4O2/c18-15-3-1-2-4-16(15)20-17(22)23-14-7-11-21(12-8-14)13-5-9-19-10-6-13/h1-6,9-10,14H,7-8,11-12,18H2,(H,20,22)
InChIKeyUUYVMTPZQSDHDW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.88
Rot. Bonds3

About (1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate

(1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate (PubChem CID 10662925) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate.

Molecular Properties

Compound Name(1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate
PubChem CID10662925
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate
SMILESNc1ccccc1NC(=O)OC1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H20N4O2/c18-15-3-1-2-4-16(15)20-17(22)23-14-7-11-21(12-8-14)13-5-9-19-10-6-13/h1-6,9-10,14H,7-8,11-12,18H2,(H,20,22)
InChIKeyUUYVMTPZQSDHDW-UHFFFAOYSA-N
XLogP2.88
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

iodomethane;[(3S)-1-pyridin-4-ylpyrrolidin-3-yl] N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamate
CID 159412496
N-(2-methoxyphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384770
[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] carbamate
CID 69032775
(1-pyridin-4-ylpiperidin-4-yl) 3-(methylamino)-3-oxo-2-phenoxypropanoate
CID 67661649
[(3R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] N-[(3S)-1-methylpyrrolidin-3-yl]carbamate
CID 67428089
sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide
CID 145473548
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973
(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate
CID 21352710
methyl N-(2,3-diaminophenyl)-N-(1-pyridin-4-ylpiperidin-4-yl)carbamate
CID 18174473
[1-(9-aminononyl)piperidin-4-yl] N-(2-bromophenyl)carbamate
CID 59707180
N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166976
4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine
CID 139888381

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate?
The IUPAC name of (1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate (CID 10662925) is (1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate.
What is the SMILES notation for (1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate?
The canonical SMILES for (1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate is Nc1ccccc1NC(=O)OC1CCN(c2ccncc2)CC1.
What is the InChIKey of (1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate?
The InChIKey is UUYVMTPZQSDHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-15-3-1-2-4-16(15)20-17(22)23-14-7-11-21(12-8-14)13-5-9-19-10-6-13/h1-6,9-10,14H,7-8,11-12,18H2,(H,20,22).
What are the key properties of (1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate?
(1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate has a molecular weight of 312.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate is sourced from PubChem (CID 10662925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).