benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate

C25H24N4O3 — CID 24992944

IUPACbenzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate
SMILESN#Cc1ccccc1OC1CCN(c2ccc(NC(=O)OCc3ccccc3)cn2)CC1
InChIInChI=1S/C25H24N4O3/c26-16-20-8-4-5-9-23(20)32-22-12-14-29(15-13-22)24-11-10-21(17-27-24)28-25(30)31-18-19-6-2-1-3-7-19/h1-11,17,22H,12-15,18H2,(H,28,30)
InChIKeyXOQCEUSYWATNAJ-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.75
Rot. Bonds6

About benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate

benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate (PubChem CID 24992944) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate
PubChem CID24992944
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Namebenzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate
SMILESN#Cc1ccccc1OC1CCN(c2ccc(NC(=O)OCc3ccccc3)cn2)CC1
InChIInChI=1S/C25H24N4O3/c26-16-20-8-4-5-9-23(20)32-22-12-14-29(15-13-22)24-11-10-21(17-27-24)28-25(30)31-18-19-6-2-1-3-7-19/h1-11,17,22H,12-15,18H2,(H,28,30)
InChIKeyXOQCEUSYWATNAJ-UHFFFAOYSA-N
XLogP4.75
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile
CID 71120836
4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
CID 18536514
1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide
CID 17468210
2-[2-cyano-4-(phenylmethoxycarbonylamino)phenoxy]acetic acid
CID 23062611
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide
CID 113015446
benzyl N-(4-cyano-3-fluorophenyl)carbamate
CID 131116637
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107338260
3-[[1-[5-[(2-benzylbenzoyl)amino]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 56839514
[2-cyano-4-(phenylmethoxycarbonylamino)phenyl] acetate
CID 69003019

Frequently Asked Questions

What is the IUPAC name of benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate (CID 24992944) is benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate is N#Cc1ccccc1OC1CCN(c2ccc(NC(=O)OCc3ccccc3)cn2)CC1.
What is the InChIKey of benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate?
The InChIKey is XOQCEUSYWATNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c26-16-20-8-4-5-9-23(20)32-22-12-14-29(15-13-22)24-11-10-21(17-27-24)28-25(30)31-18-19-6-2-1-3-7-19/h1-11,17,22H,12-15,18H2,(H,28,30).
What are the key properties of benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate?
benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate has a molecular weight of 428.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[6-[4-(2-cyanophenoxy)piperidin-1-yl]-3-pyridinyl]carbamate is sourced from PubChem (CID 24992944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).