1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone

C18H31N3O2 — CID 119733147

IUPAC1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CC3CCCN3)CC2)C1
InChIInChI=1S/C18H31N3O2/c1-14-4-3-9-21(13-14)18(23)15-6-10-20(11-7-15)17(22)12-16-5-2-8-19-16/h14-16,19H,2-13H2,1H3
InChIKeyUUPHPENBSHAGOK-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.63
Rot. Bonds3

About 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone

1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone (PubChem CID 119733147) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
PubChem CID119733147
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CC3CCCN3)CC2)C1
InChIInChI=1S/C18H31N3O2/c1-14-4-3-9-21(13-14)18(23)15-6-10-20(11-7-15)17(22)12-16-5-2-8-19-16/h14-16,19H,2-13H2,1H3
InChIKeyUUPHPENBSHAGOK-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119738163
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-(3-methylpyrrolidin-1-yl)-2-piperidin-2-ylethanone
CID 61226626
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61363713
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
1-(2-methylmorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119698735
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone
CID 104958689
1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61364485
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone (CID 119733147) is 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone is CC1CCCN(C(=O)C2CCN(C(=O)CC3CCCN3)CC2)C1.
What is the InChIKey of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
The InChIKey is UUPHPENBSHAGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-14-4-3-9-21(13-14)18(23)15-6-10-20(11-7-15)17(22)12-16-5-2-8-19-16/h14-16,19H,2-13H2,1H3.
What are the key properties of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone has a molecular weight of 321.47 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 119733147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).