N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C18H32N2O2 — CID 122570338

IUPACN-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NCCCOC1CCCC1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H32N2O2/c21-17(19-12-7-15-22-16-8-1-2-9-16)18(10-3-4-11-18)20-13-5-6-14-20/h16H,1-15H2,(H,19,21)
InChIKeyLJTITLRFZMNEQB-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.86
Rot. Bonds7

About N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 122570338) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID122570338
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NCCCOC1CCCC1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H32N2O2/c21-17(19-12-7-15-22-16-8-1-2-9-16)18(10-3-4-11-18)20-13-5-6-14-20/h16H,1-15H2,(H,19,21)
InChIKeyLJTITLRFZMNEQB-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(3-cyclopentyloxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119309030
1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide
CID 115448369
N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide
CID 63128684
N-(3-cyclohexyloxypropyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430333
1-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide
CID 63827760
1-amino-N-(2-cycloheptyloxyethyl)cyclopentane-1-carboxamide
CID 119325369
N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide
CID 119693443
4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674146
1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
CID 39950504
N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 122555851
1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908413
N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119309020

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 122570338) is N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is O=C(NCCCOC1CCCC1)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is LJTITLRFZMNEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-17(19-12-7-15-22-16-8-1-2-9-16)18(10-3-4-11-18)20-13-5-6-14-20/h16H,1-15H2,(H,19,21).
What are the key properties of N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 122570338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).