2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile

C18H23N3O2 — CID 56810172

IUPAC2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H23N3O2/c19-13-16-3-1-2-4-17(16)14-20-7-5-15(6-8-20)18(22)21-9-11-23-12-10-21/h1-4,15H,5-12,14H2
InChIKeyCBNRBBREAGRVNP-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.63
Rot. Bonds3

About 2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile

2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile (PubChem CID 56810172) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
PubChem CID56810172
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H23N3O2/c19-13-16-3-1-2-4-17(16)14-20-7-5-15(6-8-20)18(22)21-9-11-23-12-10-21/h1-4,15H,5-12,14H2
InChIKeyCBNRBBREAGRVNP-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

[1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42457414
4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 4531486
2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
2-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]acetic acid
CID 79608348
2-[[4-(1-methylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 137334393
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
2-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 31033858
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 113074079
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 56810173
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile (CID 56810172) is 2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile is N#Cc1ccccc1CN1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is CBNRBBREAGRVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-13-16-3-1-2-4-17(16)14-20-7-5-15(6-8-20)18(22)21-9-11-23-12-10-21/h1-4,15H,5-12,14H2.
What are the key properties of 2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile?
2-[[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 2-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 56810172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).