cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone

C22H37N3O3 — CID 42693449

IUPACcyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1)N1CCOCC1
InChIInChI=1S/C22H37N3O3/c26-21(18-4-2-1-3-5-18)24-12-8-20(9-13-24)23-10-6-19(7-11-23)22(27)25-14-16-28-17-15-25/h18-20H,1-17H2
InChIKeyBJCOEVKWQWOYII-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.13
Rot. Bonds3

About cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone

cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 42693449) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID42693449
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Namecyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1)N1CCOCC1
InChIInChI=1S/C22H37N3O3/c26-21(18-4-2-1-3-5-18)24-12-8-20(9-13-24)23-10-6-19(7-11-23)22(27)25-14-16-28-17-15-25/h18-20H,1-17H2
InChIKeyBJCOEVKWQWOYII-UHFFFAOYSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(Morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one
CID 42693441
Cyclohexyl[2-(2-morpholinoethyl)piperidino]methanone
CID 53193420
1-[(1R,3aS,10aS,10bS)-1-(4-morpholino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-2(3H)-yl]-2-ethyl-1-butanone
CID 110875342
1-[(1R,3aS,10aS,10bS)-1-(4-morpholino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-2(3H)-yl]-3-methyl-1-butanone
CID 110875345
1-[(1R,3aS,10aS,10bS)-1-(4-morpholino-4-oxobutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-2(3H)-yl]-4-methyl-1-pentanone
CID 110875362
4-[(1R,3aS,10aS,10bS)-2-butyryldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone
CID 110875379
1'-(3-Cyclopentylpropyl)-4-(4-morpholinylcarbonyl)-1,4'-bipiperidine
CID 45929210
3-Cyclohexyl-2-fluoro-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 121535501
(2S)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 124734462
(2R)-3-cyclohexyl-2-fluoro-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 124734463
(2S)-3-cyclohexyl-2-fluoro-1-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 124734464
(2R)-3-cyclohexyl-2-fluoro-1-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 124734465

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone (CID 42693449) is cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone is O=C(C1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1)N1CCOCC1.
What is the InChIKey of cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is BJCOEVKWQWOYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c26-21(18-4-2-1-3-5-18)24-12-8-20(9-13-24)23-10-6-19(7-11-23)22(27)25-14-16-28-17-15-25/h18-20H,1-17H2.
What are the key properties of cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone?
cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 391.56 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42693449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).