[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone

C14H26N2O — CID 119802221

IUPAC[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCC(C)CC1CCCCN1C(=O)C1CCNC1
InChIInChI=1S/C14H26N2O/c1-11(2)9-13-5-3-4-8-16(13)14(17)12-6-7-15-10-12/h11-13,15H,3-10H2,1-2H3
InChIKeyMIBOGLRKZNBXSM-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds3

About [2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone

[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 119802221) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID119802221
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCC(C)CC1CCCCN1C(=O)C1CCNC1
InChIInChI=1S/C14H26N2O/c1-11(2)9-13-5-3-4-8-16(13)14(17)12-6-7-15-10-12/h11-13,15H,3-10H2,1-2H3
InChIKeyMIBOGLRKZNBXSM-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63005263
[2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 121201544
[(2R)-2-(methoxymethyl)piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129359593
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 59401908
(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 119797212
[(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 99776174
[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129371138
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308483
[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
CID 124593040

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (CID 119802221) is [2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone is CC(C)CC1CCCCN1C(=O)C1CCNC1.
What is the InChIKey of [2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is MIBOGLRKZNBXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)9-13-5-3-4-8-16(13)14(17)12-6-7-15-10-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 238.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119802221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).