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

C23H32N4O2 — CID 95194116

IUPAC4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cc1
InChIInChI=1S/C23H32N4O2/c24-16-19-3-5-20(6-4-19)17-25-10-7-22(8-11-25)27-9-1-2-21(18-27)23(28)26-12-14-29-15-13-26/h3-6,21-22H,1-2,7-15,17-18H2/t21-/m1/s1
InChIKeyWCKVBACVRABSMZ-OAQYLSRUSA-N
MW396.54 g/mol
LogP2.09
Rot. Bonds4

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

4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 95194116) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
PubChem CID95194116
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cc1
InChIInChI=1S/C23H32N4O2/c24-16-19-3-5-20(6-4-19)17-25-10-7-22(8-11-25)27-9-1-2-21(18-27)23(28)26-12-14-29-15-13-26/h3-6,21-22H,1-2,7-15,17-18H2/t21-/m1/s1
InChIKeyWCKVBACVRABSMZ-OAQYLSRUSA-N
XLogP2.09
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95402096
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 4531486
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 56861468
[(3S)-1-[1-(furan-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96577944
(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95551898
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
[1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56742293
2-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56879348
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile (CID 95194116) is 4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCC(N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cc1.
What is the InChIKey of 4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is WCKVBACVRABSMZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H32N4O2/c24-16-19-3-5-20(6-4-19)17-25-10-7-22(8-11-25)27-9-1-2-21(18-27)23(28)26-12-14-29-15-13-26/h3-6,21-22H,1-2,7-15,17-18H2/t21-/m1/s1.
What are the key properties of 4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile?
4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 396.54 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 95194116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).