[(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone

C14H26N2O — CID 176864232

IUPAC[(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)N2CCC[C@H]2C)CC1
InChIInChI=1S/C14H26N2O/c1-11(2)13-6-9-15(10-7-13)14(17)16-8-4-5-12(16)3/h11-13H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyHGJANJBDBGWLOH-GFCCVEGCSA-N
MW238.37 g/mol
LogP2.96
Rot. Bonds1

About [(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone

[(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 176864232) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID176864232
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)N2CCC[C@H]2C)CC1
InChIInChI=1S/C14H26N2O/c1-11(2)13-6-9-15(10-7-13)14(17)16-8-4-5-12(16)3/h11-13H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyHGJANJBDBGWLOH-GFCCVEGCSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116653733
propan-2-yl 2-methylpyrrolidine-1-carboxylate
CID 58164988
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
CID 112695655
(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (CID 176864232) is [(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)N2CCC[C@H]2C)CC1.
What is the InChIKey of [(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is HGJANJBDBGWLOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)13-6-9-15(10-7-13)14(17)16-8-4-5-12(16)3/h11-13H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of [(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?
[(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 176864232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).