1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride

C16H30ClN3O3 — CID 120617943

IUPAC1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCOCC1(C(=O)N2CCN(C(=O)C(C)C)CC2)CCNCC1.Cl
InChIInChI=1S/C16H29N3O3.ClH/c1-13(2)14(20)18-8-10-19(11-9-18)15(21)16(12-22-3)4-6-17-7-5-16;/h13,17H,4-12H2,1-3H3;1H
InChIKeyTXMYCVHJEURIRZ-UHFFFAOYSA-N
MW347.89 g/mol
LogP0.75
Rot. Bonds4

About 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride

1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride (PubChem CID 120617943) has the molecular formula C16H30ClN3O3 and a molecular weight of 347.89 g/mol. Its IUPAC name is 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
PubChem CID120617943
Molecular FormulaC16H30ClN3O3
Molecular Weight347.89 g/mol
Exact Mass347.20
IUPAC Name1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCOCC1(C(=O)N2CCN(C(=O)C(C)C)CC2)CCNCC1.Cl
InChIInChI=1S/C16H29N3O3.ClH/c1-13(2)14(20)18-8-10-19(11-9-18)15(21)16(12-22-3)4-6-17-7-5-16;/h13,17H,4-12H2,1-3H3;1H
InChIKeyTXMYCVHJEURIRZ-UHFFFAOYSA-N
XLogP0.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120633382
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640752
[4-(methoxymethyl)piperidin-4-yl]-(1,4-thiazepan-4-yl)methanone;hydrochloride
CID 120648013
2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120640227
[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;hydrochloride
CID 120620661
3,9-diazaspiro[5.6]dodecan-9-yl-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride
CID 154907919
[4-(methoxymethyl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120639468
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120639402
[4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 120646466
2-azaspiro[4.5]decan-2-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120636328
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride (CID 120617943) is 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride is COCC1(C(=O)N2CCN(C(=O)C(C)C)CC2)CCNCC1.Cl.
What is the InChIKey of 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
The InChIKey is TXMYCVHJEURIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3.ClH/c1-13(2)14(20)18-8-10-19(11-9-18)15(21)16(12-22-3)4-6-17-7-5-16;/h13,17H,4-12H2,1-3H3;1H.
What are the key properties of 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride?
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 120617943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).