(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone

C14H26N2O — CID 116657829

IUPAC(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C14H26N2O/c1-3-5-13-7-9-16(11-13)14(17)15-8-4-6-12(2)10-15/h12-13H,3-11H2,1-2H3
InChIKeySHYFNSFLDZFPJZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.96
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone

(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 116657829) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID116657829
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C14H26N2O/c1-3-5-13-7-9-16(11-13)14(17)15-8-4-6-12(2)10-15/h12-13H,3-11H2,1-2H3
InChIKeySHYFNSFLDZFPJZ-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
CID 116657830
(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 113418347
3-propylpiperidine-1-carboxamide
CID 18466872
[4-(ethylamino)piperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79152580
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
1-(4-propylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55151760
methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate
CID 79162947
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575165
2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 115730377

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone (CID 116657829) is (3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)N2CCCC(C)C2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is SHYFNSFLDZFPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-5-13-7-9-16(11-13)14(17)15-8-4-6-12(2)10-15/h12-13H,3-11H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone?
(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 116657829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).