4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile

C18H23N3O2 — CID 51323129

IUPAC4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C18H23N3O2/c19-12-15-3-5-16(6-4-15)13-20-7-1-2-17(14-20)18(22)21-8-10-23-11-9-21/h3-6,17H,1-2,7-11,13-14H2
InChIKeyJKWLPENBAMCACI-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.63
Rot. Bonds3

About 4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile

4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile (PubChem CID 51323129) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
PubChem CID51323129
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C18H23N3O2/c19-12-15-3-5-16(6-4-15)13-20-7-1-2-17(14-20)18(22)21-8-10-23-11-9-21/h3-6,17H,1-2,7-11,13-14H2
InChIKeyJKWLPENBAMCACI-UHFFFAOYSA-N
XLogP1.63
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95194116
4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 4531486
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431625
4-[[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95402096
[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 70779312
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
4-[[4-[(3S)-oxolane-3-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 95587836
ethyl (3R)-1-[(4-cyanophenyl)methyl]piperidine-3-carboxylate
CID 40800844
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile (CID 51323129) is 4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of 4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is JKWLPENBAMCACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-12-15-3-5-16(6-4-15)13-20-7-1-2-17(14-20)18(22)21-8-10-23-11-9-21/h3-6,17H,1-2,7-11,13-14H2.
What are the key properties of 4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile has a molecular weight of 313.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 51323129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).