3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide

C13H25N3O — CID 114082034

IUPAC3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(CCC2CCCNC2)C1
InChIInChI=1S/C13H25N3O/c1-13(12(14)17)5-8-16(10-13)7-4-11-3-2-6-15-9-11/h11,15H,2-10H2,1H3,(H2,14,17)
InChIKeyGZDIHWDUHQETOA-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.57
Rot. Bonds4

About 3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide

3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 114082034) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
PubChem CID114082034
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(CCC2CCCNC2)C1
InChIInChI=1S/C13H25N3O/c1-13(12(14)17)5-8-16(10-13)7-4-11-3-2-6-15-9-11/h11,15H,2-10H2,1H3,(H2,14,17)
InChIKeyGZDIHWDUHQETOA-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120849955
1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122046270
1-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 55064960
3-(2-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane
CID 62937065
2-[4-(2-piperidin-3-ylethyl)piperazin-1-yl]ethanol
CID 53408974
N-[[1-(2-piperidin-3-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736376
1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride
CID 56831674
4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide
CID 62356507
1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane
CID 62357709
(3S)-1-[2-[(3S)-piperidin-3-yl]ethyl]pyrrolidin-3-ol
CID 86323422
3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine
CID 116991563
2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride
CID 167985563

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide (CID 114082034) is 3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(CCC2CCCNC2)C1.
What is the InChIKey of 3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is GZDIHWDUHQETOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(12(14)17)5-8-16(10-13)7-4-11-3-2-6-15-9-11/h11,15H,2-10H2,1H3,(H2,14,17).
What are the key properties of 3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide?
3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114082034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).