N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide

C14H26N2O2 — CID 71993938

IUPACN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-9-7-14(17)15-13-6-8-16(11-13)10-12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyKNLYSNSTEJJBBP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds6

About N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide

N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide (PubChem CID 71993938) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide
PubChem CID71993938
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-9-7-14(17)15-13-6-8-16(11-13)10-12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyKNLYSNSTEJJBBP-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide (CID 71993938) is N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide is COCCC(=O)NC1CCN(CC2CCCC2)C1.
What is the InChIKey of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide?
The InChIKey is KNLYSNSTEJJBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-9-7-14(17)15-13-6-8-16(11-13)10-12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide?
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide has a molecular weight of 254.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide is sourced from PubChem (CID 71993938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).