3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

C17H32N4O2 — CID 120982439

IUPAC3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCC(CN2CCOCC2)CC1)N1CCNCC1
InChIInChI=1S/C17H32N4O2/c22-17(21-9-4-18-5-10-21)3-8-19-6-1-16(2-7-19)15-20-11-13-23-14-12-20/h16,18H,1-15H2
InChIKeyWJQZOOZWXMJLLP-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.15
Rot. Bonds5

About 3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982439) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120982439
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCC(CN2CCOCC2)CC1)N1CCNCC1
InChIInChI=1S/C17H32N4O2/c22-17(21-9-4-18-5-10-21)3-8-19-6-1-16(2-7-19)15-20-11-13-23-14-12-20/h16,18H,1-15H2
InChIKeyWJQZOOZWXMJLLP-UHFFFAOYSA-N
XLogP-0.15
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3238740
4-(2,2-Dimethylpropyl)-3-{2-[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 16188943
1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 3415217
N-[1-(cyclohexylmethyl)-3-piperidinyl]-3-(4-morpholinyl)propanamide
CID 45205353
N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 5157518
1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 3654840
1-[(3,5-Dimethylpiperidin-1-YL)sulfonyl]-N-[2-(morpholin-4-YL)ethyl]piperidine-3-carboxamide
CID 5107017
N-[4-[9-(1-methylpiperidine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide
CID 134790054
N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
CID 4171976
N-(3-morpholin-4-ylpropyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
CID 20968709
N-[2-(Morpholin-4-YL)ethyl]-1-(morpholine-4-sulfonyl)piperidine-3-carboxamide
CID 22552777
4-(3-Methylbutyl)-3-{2-[4-(4-morpholinylmethyl)-1-piperidinyl]-2-oxoethyl}-2-piperazinone
CID 45209618

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120982439) is 3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is O=C(CCN1CCC(CN2CCOCC2)CC1)N1CCNCC1.
What is the InChIKey of 3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is WJQZOOZWXMJLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c22-17(21-9-4-18-5-10-21)3-8-19-6-1-16(2-7-19)15-20-11-13-23-14-12-20/h16,18H,1-15H2.
What are the key properties of 3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 324.47 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).