[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone

C15H29N3O — CID 119895885

IUPAC[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone
SMILESCCCN(C)CC1CCN(C(=O)C2CCCNC2)C1
InChIInChI=1S/C15H29N3O/c1-3-8-17(2)11-13-6-9-18(12-13)15(19)14-5-4-7-16-10-14/h13-14,16H,3-12H2,1-2H3
InChIKeyHTKBPKCGVBXNAU-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.18
Rot. Bonds5

About [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone

[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone (PubChem CID 119895885) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone
PubChem CID119895885
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone
SMILESCCCN(C)CC1CCN(C(=O)C2CCCNC2)C1
InChIInChI=1S/C15H29N3O/c1-3-8-17(2)11-13-6-9-18(12-13)15(19)14-5-4-7-16-10-14/h13-14,16H,3-12H2,1-2H3
InChIKeyHTKBPKCGVBXNAU-UHFFFAOYSA-N
XLogP1.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 114797503
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119341197
piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride
CID 119337253
piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894675
[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119896732
pyrrolidin-3-yl-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119892585
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(piperidin-3-yl)methanone
CID 43620377
[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119896717

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone (CID 119895885) is [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone is CCCN(C)CC1CCN(C(=O)C2CCCNC2)C1.
What is the InChIKey of [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is HTKBPKCGVBXNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-8-17(2)11-13-6-9-18(12-13)15(19)14-5-4-7-16-10-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone?
[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 267.42 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 119895885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).