[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone

C17H33N3O — CID 102778861

IUPAC[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone
SMILESCCCCN(C)CC1CCN(C(=O)C2NCCC2C)CC1
InChIInChI=1S/C17H33N3O/c1-4-5-10-19(3)13-15-7-11-20(12-8-15)17(21)16-14(2)6-9-18-16/h14-16,18H,4-13H2,1-3H3
InChIKeyOEARAGRLZURHAX-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.95
Rot. Bonds6

About [4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone

[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone (PubChem CID 102778861) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is [4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone
PubChem CID102778861
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone
SMILESCCCCN(C)CC1CCN(C(=O)C2NCCC2C)CC1
InChIInChI=1S/C17H33N3O/c1-4-5-10-19(3)13-15-7-11-20(12-8-15)17(21)16-14(2)6-9-18-16/h14-16,18H,4-13H2,1-3H3
InChIKeyOEARAGRLZURHAX-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
CID 102780010
(3-aminocyclohexyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119851832
N,N-dimethyl-1-(3-methylpyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 102778682
(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 85176427
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone
CID 61244693
N-[[1-(3-methylpyrrolidine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102780192
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-chloro-2,2-dimethylpropan-1-one
CID 63663822
2-(azetidin-3-yl)-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one
CID 116676746
(2S)-2-amino-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 61164403
3-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119123946
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119134803
(3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 63007381

Frequently Asked Questions

What is the IUPAC name of [4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone (CID 102778861) is [4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone is CCCCN(C)CC1CCN(C(=O)C2NCCC2C)CC1.
What is the InChIKey of [4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone?
The InChIKey is OEARAGRLZURHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-5-10-19(3)13-15-7-11-20(12-8-15)17(21)16-14(2)6-9-18-16/h14-16,18H,4-13H2,1-3H3.
What are the key properties of [4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone?
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone has a molecular weight of 295.47 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 102778861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).