cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone

C18H30N6O — CID 164639786

IUPACcyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)[C@@]1(c2nnnn2C2CCCC2)CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C18H30N6O/c1-22(2)18(17-19-20-21-24(17)15-9-5-6-10-15)11-12-23(13-18)16(25)14-7-3-4-8-14/h14-15H,3-13H2,1-2H3/t18-/m0/s1
InChIKeyQIORFTDRUAGBEP-SFHVURJKSA-N
MW346.48 g/mol
LogP1.97
Rot. Bonds4

About cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone

cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 164639786) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID164639786
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Namecyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)[C@@]1(c2nnnn2C2CCCC2)CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C18H30N6O/c1-22(2)18(17-19-20-21-24(17)15-9-5-6-10-15)11-12-23(13-18)16(25)14-7-3-4-8-14/h14-15H,3-13H2,1-2H3/t18-/m0/s1
InChIKeyQIORFTDRUAGBEP-SFHVURJKSA-N
XLogP1.97
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 164639786) is cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)[C@@]1(c2nnnn2C2CCCC2)CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is QIORFTDRUAGBEP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N6O/c1-22(2)18(17-19-20-21-24(17)15-9-5-6-10-15)11-12-23(13-18)16(25)14-7-3-4-8-14/h14-15H,3-13H2,1-2H3/t18-/m0/s1.
What are the key properties of cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 346.48 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164639786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).