1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone

C17H32N4O2 — CID 68778881

IUPAC1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone
SMILESCN1CCC(N2CCN(C(=O)COCC3CCCN3)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-19-7-4-16(5-8-19)20-9-11-21(12-10-20)17(22)14-23-13-15-3-2-6-18-15/h15-16,18H,2-14H2,1H3
InChIKeyXCCQQLCFLKFQKJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.01
Rot. Bonds5

About 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone

1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone (PubChem CID 68778881) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone
PubChem CID68778881
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone
SMILESCN1CCC(N2CCN(C(=O)COCC3CCCN3)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-19-7-4-16(5-8-19)20-9-11-21(12-10-20)17(22)14-23-13-15-3-2-6-18-15/h15-16,18H,2-14H2,1H3
InChIKeyXCCQQLCFLKFQKJ-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone
CID 129384992
2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 59618609
1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid
CID 83213406
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal
CID 174578835
ethyl 2-(pyrrolidin-2-ylmethoxy)acetate
CID 106939447
2-(4-methylpiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 171586521
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 178115862
2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 113263934
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106618351
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone (CID 68778881) is 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone is CN1CCC(N2CCN(C(=O)COCC3CCCN3)CC2)CC1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone?
The InChIKey is XCCQQLCFLKFQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-19-7-4-16(5-8-19)20-9-11-21(12-10-20)17(22)14-23-13-15-3-2-6-18-15/h15-16,18H,2-14H2,1H3.
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone?
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone has a molecular weight of 324.47 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone is sourced from PubChem (CID 68778881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).