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

C18H23N3O2 — CID 4531486

IUPAC4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c19-13-15-1-3-16(4-2-15)14-20-7-5-17(6-8-20)18(22)21-9-11-23-12-10-21/h1-4,17H,5-12,14H2
InChIKeyFVXFTYVSGWBNKR-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.63
Rot. Bonds3

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

4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile (PubChem CID 4531486) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
PubChem CID4531486
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c19-13-15-1-3-16(4-2-15)14-20-7-5-17(6-8-20)18(22)21-9-11-23-12-10-21/h1-4,17H,5-12,14H2
InChIKeyFVXFTYVSGWBNKR-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-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95194116
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926
4-[[4-[(3S)-oxolane-3-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 95587836
1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 71432530
2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 56810172
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435209
4-[[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95402096
1-[(4-cyanophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 55149332
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile (CID 4531486) is 4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is FVXFTYVSGWBNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-13-15-1-3-16(4-2-15)14-20-7-5-17(6-8-20)18(22)21-9-11-23-12-10-21/h1-4,17H,5-12,14H2.
What are the key properties of 4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
4-[[4-(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-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 4531486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).