N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide

C19H26N4O2 — CID 143229666

IUPACN-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide
SMILESN#Cc1cccnc1N1CCCC(CCN(C=O)C2CCOCC2)C1
InChIInChI=1S/C19H26N4O2/c20-13-17-4-1-8-21-19(17)22-9-2-3-16(14-22)5-10-23(15-24)18-6-11-25-12-7-18/h1,4,8,15-16,18H,2-3,5-7,9-12,14H2
InChIKeyUNNATLCFBQORNB-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.20
Rot. Bonds6

About N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide

N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide (PubChem CID 143229666) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide.

Molecular Properties

Compound NameN-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide
PubChem CID143229666
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide
SMILESN#Cc1cccnc1N1CCCC(CCN(C=O)C2CCOCC2)C1
InChIInChI=1S/C19H26N4O2/c20-13-17-4-1-8-21-19(17)22-9-2-3-16(14-22)5-10-23(15-24)18-6-11-25-12-7-18/h1,4,8,15-16,18H,2-3,5-7,9-12,14H2
InChIKeyUNNATLCFBQORNB-UHFFFAOYSA-N
XLogP2.20
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
CID 143229783
N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane
CID 143229407
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide
CID 143229815
N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
CID 143229533
2-[(3R)-3-morpholin-4-ylsulfonylpiperidin-1-yl]pyridine-3-carbonitrile
CID 97344026
N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
CID 143229364
N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide
CID 143229668
2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 171704830
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171994800
1-[[1-(3-cyano-2-pyridinyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56714395
2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 47079116

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide?
The IUPAC name of N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide (CID 143229666) is N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide.
What is the SMILES notation for N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide?
The canonical SMILES for N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide is N#Cc1cccnc1N1CCCC(CCN(C=O)C2CCOCC2)C1.
What is the InChIKey of N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide?
The InChIKey is UNNATLCFBQORNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-13-17-4-1-8-21-19(17)22-9-2-3-16(14-22)5-10-23(15-24)18-6-11-25-12-7-18/h1,4,8,15-16,18H,2-3,5-7,9-12,14H2.
What are the key properties of N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide?
N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide has a molecular weight of 342.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide is sourced from PubChem (CID 143229666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).