[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone

C22H33N3O2 — CID 56752149

IUPAC[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(C2CCN(Cc3ccccc3)CC2)C1)N1CCOCC1
InChIInChI=1S/C22H33N3O2/c26-22(24-13-15-27-16-14-24)20-7-4-10-25(18-20)21-8-11-23(12-9-21)17-19-5-2-1-3-6-19/h1-3,5-6,20-21H,4,7-18H2
InChIKeyRUWZGLMMQXQXEU-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.22
Rot. Bonds4

About [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 56752149) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID56752149
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(C2CCN(Cc3ccccc3)CC2)C1)N1CCOCC1
InChIInChI=1S/C22H33N3O2/c26-22(24-13-15-27-16-14-24)20-7-4-10-25(18-20)21-8-11-23(12-9-21)17-19-5-2-1-3-6-19/h1-3,5-6,20-21H,4,7-18H2
InChIKeyRUWZGLMMQXQXEU-UHFFFAOYSA-N
XLogP2.22
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 56861468
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
[(3S)-1-[1-(furan-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96577944
4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95194116
[1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56742293
methyl 1-[1-(1-benzylpiperidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 4657219
4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
4-[[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95402096
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 56752149) is [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCCN(C2CCN(Cc3ccccc3)CC2)C1)N1CCOCC1.
What is the InChIKey of [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is RUWZGLMMQXQXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-22(24-13-15-27-16-14-24)20-7-4-10-25(18-20)21-8-11-23(12-9-21)17-19-5-2-1-3-6-19/h1-3,5-6,20-21H,4,7-18H2.
What are the key properties of [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 371.53 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56752149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).