1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one

C14H25N3O2 — CID 79318665

IUPAC1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one
SMILESCN(CC(=O)N1CCC(=O)CC1)CC1CCCN1C
InChIInChI=1S/C14H25N3O2/c1-15(10-12-4-3-7-16(12)2)11-14(19)17-8-5-13(18)6-9-17/h12H,3-11H2,1-2H3
InChIKeyZTZVIWDWJWFFEB-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.20
Rot. Bonds4

About 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one

1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one (PubChem CID 79318665) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one
PubChem CID79318665
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one
SMILESCN(CC(=O)N1CCC(=O)CC1)CC1CCCN1C
InChIInChI=1S/C14H25N3O2/c1-15(10-12-4-3-7-16(12)2)11-14(19)17-8-5-13(18)6-9-17/h12H,3-11H2,1-2H3
InChIKeyZTZVIWDWJWFFEB-UHFFFAOYSA-N
XLogP0.20
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one
CID 63712793
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388
1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one
CID 79389678
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319202
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
CID 79314480
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 79319089
ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79314533
1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319708
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone
CID 79319620
trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide
CID 106746162
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one (CID 79318665) is 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one is CN(CC(=O)N1CCC(=O)CC1)CC1CCCN1C.
What is the InChIKey of 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one?
The InChIKey is ZTZVIWDWJWFFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-15(10-12-4-3-7-16(12)2)11-14(19)17-8-5-13(18)6-9-17/h12H,3-11H2,1-2H3.
What are the key properties of 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one?
1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one has a molecular weight of 267.37 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one is sourced from PubChem (CID 79318665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).