N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide

C13H25N3O — CID 121458775

IUPACN-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
SMILESCN1CCCC(NC(=O)CCN2CCCC2)C1
InChIInChI=1S/C13H25N3O/c1-15-7-4-5-12(11-15)14-13(17)6-10-16-8-2-3-9-16/h12H,2-11H2,1H3,(H,14,17)
InChIKeyNKITVXVXJDFJRX-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds4

About N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide

N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 121458775) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
PubChem CID121458775
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
SMILESCN1CCCC(NC(=O)CCN2CCCC2)C1
InChIInChI=1S/C13H25N3O/c1-15-7-4-5-12(11-15)14-13(17)6-10-16-8-2-3-9-16/h12H,2-11H2,1H3,(H,14,17)
InChIKeyNKITVXVXJDFJRX-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-hydroxy-N-(1-methylpiperidin-3-yl)pentanamide
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N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
N-(1-methylpiperidin-3-yl)-3-piperidin-4-ylpropanamide
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N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-morpholin-4-ylpropanamide
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[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
[(3R)-1-methylpiperidin-3-yl]carbamic acid
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CID 78986831

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide (CID 121458775) is N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide is CN1CCCC(NC(=O)CCN2CCCC2)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is NKITVXVXJDFJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15-7-4-5-12(11-15)14-13(17)6-10-16-8-2-3-9-16/h12H,2-11H2,1H3,(H,14,17).
What are the key properties of N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide?
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 121458775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).