3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C14H27N3O — CID 62655429

IUPAC3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCN1CCC(CNCCC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-10-5-13(6-11-16)12-15-7-4-14(18)17-8-2-3-9-17/h13,15H,2-12H2,1H3
InChIKeyWMHZELGLTIGEFI-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds5

About 3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 62655429) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID62655429
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCN1CCC(CNCCC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-10-5-13(6-11-16)12-15-7-4-14(18)17-8-2-3-9-17/h13,15H,2-12H2,1H3
InChIKeyWMHZELGLTIGEFI-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 62659463
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride
CID 119849545
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113411276
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752
3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411272
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
N-cyclopropyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 113268579
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849774

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 62655429) is 3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is CN1CCC(CNCCC(=O)N2CCCC2)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WMHZELGLTIGEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-10-5-13(6-11-16)12-15-7-4-14(18)17-8-2-3-9-17/h13,15H,2-12H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 62655429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).