[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone

C13H25N3O — CID 79161245

IUPAC[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCNCCC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-14-7-4-12-5-10-16(11-6-12)13(17)15-8-2-3-9-15/h12,14H,2-11H2,1H3
InChIKeyNTKOQUWHDSRBDW-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.52
Rot. Bonds3

About [4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone

[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 79161245) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is [4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID79161245
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCNCCC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-14-7-4-12-5-10-16(11-6-12)13(17)15-8-2-3-9-15/h12,14H,2-11H2,1H3
InChIKeyNTKOQUWHDSRBDW-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79160945
1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 58975937
azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654
1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718415
4-[3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017805
azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
CID 116657830
(3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107973305
1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 168881883
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
azetidin-1-yl-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone
CID 164775434

Frequently Asked Questions

What is the IUPAC name of [4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 79161245) is [4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone is CNCCC1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of [4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NTKOQUWHDSRBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14-7-4-12-5-10-16(11-6-12)13(17)15-8-2-3-9-15/h12,14H,2-11H2,1H3.
What are the key properties of [4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 239.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 79161245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).