3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

C17H30N4O3 — CID 120981521

IUPAC3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1C(=O)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C17H30N4O3/c22-16(20-9-5-18-6-10-20)4-8-19-7-2-1-3-15(19)17(23)21-11-13-24-14-12-21/h15,18H,1-14H2
InChIKeyJCGCPVPUCGDCQQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.48
Rot. Bonds4

About 3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120981521) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120981521
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1C(=O)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C17H30N4O3/c22-16(20-9-5-18-6-10-20)4-8-19-7-2-1-3-15(19)17(23)21-11-13-24-14-12-21/h15,18H,1-14H2
InChIKeyJCGCPVPUCGDCQQ-UHFFFAOYSA-N
XLogP-0.48
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-2-carboxamide;hydrochloride
CID 120980433
[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 166220087
N-carbamoyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanamide
CID 61176660
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
3-[2-(1-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111107028
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422617
[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 114525980
5-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pentanenitrile
CID 61177820
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981287
[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 63192291

Frequently Asked Questions

What is the IUPAC name of 3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120981521) is 3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is O=C(CCN1CCCCC1C(=O)N1CCOCC1)N1CCNCC1.
What is the InChIKey of 3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is JCGCPVPUCGDCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c22-16(20-9-5-18-6-10-20)4-8-19-7-2-1-3-15(19)17(23)21-11-13-24-14-12-21/h15,18H,1-14H2.
What are the key properties of 3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 338.45 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120981521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).