2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone

C12H23N3O — CID 63301733

IUPAC2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
SMILESCN(CC(=O)N1CCCCC1)C1CCNC1
InChIInChI=1S/C12H23N3O/c1-14(11-5-6-13-9-11)10-12(16)15-7-3-2-4-8-15/h11,13H,2-10H2,1H3
InChIKeyOXHYCOAKQPDHNA-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds3

About 2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone

2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone (PubChem CID 63301733) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
PubChem CID63301733
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
SMILESCN(CC(=O)N1CCCCC1)C1CCNC1
InChIInChI=1S/C12H23N3O/c1-14(11-5-6-13-9-11)10-12(16)15-7-3-2-4-8-15/h11,13H,2-10H2,1H3
InChIKeyOXHYCOAKQPDHNA-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[methyl(pyrrolidin-3-yl)amino]ethanone;hydrochloride
CID 119922846
2-[azepan-3-yl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 114218547
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[methyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylethanone
CID 63301630
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
CID 61232607
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 63005448
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
CID 154910756
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-sulfonamide
CID 65421585

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone (CID 63301733) is 2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone is CN(CC(=O)N1CCCCC1)C1CCNC1.
What is the InChIKey of 2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone?
The InChIKey is OXHYCOAKQPDHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14(11-5-6-13-9-11)10-12(16)15-7-3-2-4-8-15/h11,13H,2-10H2,1H3.
What are the key properties of 2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone?
2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone has a molecular weight of 225.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 63301733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).