(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C17H31N3O2 — CID 119894734

IUPAC(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCOC1(C(=O)N2CCC(CN3CCCCC3)C2)CCNCC1
InChIInChI=1S/C17H31N3O2/c1-22-17(6-8-18-9-7-17)16(21)20-12-5-15(14-20)13-19-10-3-2-4-11-19/h15,18H,2-14H2,1H3
InChIKeyNXVICQLWWPWNQN-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.09
Rot. Bonds4

About (4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 119894734) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID119894734
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCOC1(C(=O)N2CCC(CN3CCCCC3)C2)CCNCC1
InChIInChI=1S/C17H31N3O2/c1-22-17(6-8-18-9-7-17)16(21)20-12-5-15(14-20)13-19-10-3-2-4-11-19/h15,18H,2-14H2,1H3
InChIKeyNXVICQLWWPWNQN-UHFFFAOYSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119859716
[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119894888
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119896789
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119881544
1-adamantyl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 75407812
1-(4-methoxypiperidine-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 119855248
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
CID 119780028
(4-fluorophenyl)-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119798421

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 119894734) is (4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone is COC1(C(=O)N2CCC(CN3CCCCC3)C2)CCNCC1.
What is the InChIKey of (4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NXVICQLWWPWNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-22-17(6-8-18-9-7-17)16(21)20-12-5-15(14-20)13-19-10-3-2-4-11-19/h15,18H,2-14H2,1H3.
What are the key properties of (4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 309.45 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119894734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).