1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one

C18H34N2O — CID 65428876

IUPAC1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
SMILESCCCCCCCCC(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C18H34N2O/c1-2-3-4-5-6-7-13-18(21)20-15-9-8-12-17(20)16-11-10-14-19-16/h16-17,19H,2-15H2,1H3
InChIKeyGKXQJVILCBVLKZ-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.87
Rot. Bonds8

About 1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one

1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one (PubChem CID 65428876) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one.

Molecular Properties

Compound Name1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
PubChem CID65428876
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
SMILESCCCCCCCCC(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C18H34N2O/c1-2-3-4-5-6-7-13-18(21)20-15-9-8-12-17(20)16-11-10-14-19-16/h16-17,19H,2-15H2,1H3
InChIKeyGKXQJVILCBVLKZ-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 114018492
2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 112603375
1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]octan-1-one
CID 79539770
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
CID 63259335
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 103164909
2-methyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256243
2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 55168953
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62275584
2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one
CID 79553408

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one?
The IUPAC name of 1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one (CID 65428876) is 1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one.
What is the SMILES notation for 1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one?
The canonical SMILES for 1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one is CCCCCCCCC(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of 1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one?
The InChIKey is GKXQJVILCBVLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-3-4-5-6-7-13-18(21)20-15-9-8-12-17(20)16-11-10-14-19-16/h16-17,19H,2-15H2,1H3.
What are the key properties of 1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one?
1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one has a molecular weight of 294.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one is sourced from PubChem (CID 65428876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).