2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C18H32N4O3 — CID 120640227

IUPAC2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOCC1(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCNCC1
InChIInChI=1S/C18H32N4O3/c1-25-15-18(4-6-19-7-5-18)17(24)22-12-10-20(11-13-22)14-16(23)21-8-2-3-9-21/h19H,2-15H2,1H3
InChIKeyMZGQUFJBCSGYJO-UHFFFAOYSA-N
MW352.48 g/mol
LogP-0.23
Rot. Bonds5

About 2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 120640227) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID120640227
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOCC1(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCNCC1
InChIInChI=1S/C18H32N4O3/c1-25-15-18(4-6-19-7-5-18)17(24)22-12-10-20(11-13-22)14-16(23)21-8-2-3-9-21/h19H,2-15H2,1H3
InChIKeyMZGQUFJBCSGYJO-UHFFFAOYSA-N
XLogP-0.23
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640752
1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone
CID 120646385
N-cyclohexyl-2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 120646192
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516
[4-(methoxymethyl)piperidin-4-yl]-(1,4-thiazepan-4-yl)methanone;hydrochloride
CID 120648013
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120640799
3,9-diazaspiro[5.6]dodecan-9-yl-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride
CID 154907919
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120633382
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120639402
[4-(methoxymethyl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120639468
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640848

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 120640227) is 2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is COCC1(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CCNCC1.
What is the InChIKey of 2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is MZGQUFJBCSGYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-25-15-18(4-6-19-7-5-18)17(24)22-12-10-20(11-13-22)14-16(23)21-8-2-3-9-21/h19H,2-15H2,1H3.
What are the key properties of 2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 352.48 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 120640227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).