(3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C17H31N3O — CID 63007381

IUPAC(3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCC1CCCNC1C(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-14-5-4-8-18-16(14)17(21)20-11-6-15(7-12-20)13-19-9-2-3-10-19/h14-16,18H,2-13H2,1H3
InChIKeyMIYOLMAFXBNEMG-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.71
Rot. Bonds3

About (3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 63007381) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is (3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID63007381
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name(3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCC1CCCNC1C(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-14-5-4-8-18-16(14)17(21)20-11-6-15(7-12-20)13-19-9-2-3-10-19/h14-16,18H,2-13H2,1H3
InChIKeyMIYOLMAFXBNEMG-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 107068136
(4-methoxypiperidin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 62339458
(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 85176427
1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 107068398
[3-(dimethylamino)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 55224694
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120939291
(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
CID 102780010
N-[[1-(3-methylpyrrolidine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102780192
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 63620867
[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119867516

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 63007381) is (3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is CC1CCCNC1C(=O)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of (3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is MIYOLMAFXBNEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14-5-4-8-18-16(14)17(21)20-11-6-15(7-12-20)13-19-9-2-3-10-19/h14-16,18H,2-13H2,1H3.
What are the key properties of (3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 293.46 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63007381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).