2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

C19H29F3N2O2 — CID 154819100

IUPAC2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESO=C(CC1CCCC1)NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H29F3N2O2/c20-19(21,22)7-8-24-11-15-14(16-5-6-18(15,12-24)26-16)10-23-17(25)9-13-3-1-2-4-13/h13-16H,1-12H2,(H,23,25)/t14-,15+,16+,18+/m0/s1
InChIKeyWEIBREFDXUVRKT-BVIKNXMNSA-N
MW374.45 g/mol
LogP3.11
Rot. Bonds6

About 2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (PubChem CID 154819100) has the molecular formula C19H29F3N2O2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
PubChem CID154819100
Molecular FormulaC19H29F3N2O2
Molecular Weight374.45 g/mol
Exact Mass374.22
IUPAC Name2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESO=C(CC1CCCC1)NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H29F3N2O2/c20-19(21,22)7-8-24-11-15-14(16-5-6-18(15,12-24)26-16)10-23-17(25)9-13-3-1-2-4-13/h13-16H,1-12H2,(H,23,25)/t14-,15+,16+,18+/m0/s1
InChIKeyWEIBREFDXUVRKT-BVIKNXMNSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-{[rel-(1S,5S,6R,7R)-3-(4,4,4-trifluorobutanoyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}tetrahydro-2H-pyran-4-carboxamide
CID 135103271
2-ethoxy-2-methyl-N-{[rel-(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}propanamide
CID 154816583
1-methyl-N-{[rel-(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}cyclopentanecarboxamide
CID 154817919
N,N-dimethyl-1-[rel-(1S,5S,6R,7R)-3-(4,4,4-trifluorobutanoyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methanamine formate
CID 154820317
4,4,4-trifluoro-N-({rel-(1S,5S,6R,7R)-3-[2-(isobutylamino)-2-oxoethyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl}methyl)butanamide
CID 154821585
4-methyl-N-{[rel-(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}pentanamide
CID 154823936
4,4,4-trifluoro-N-{[rel-(1S,5S,6R,7R)-3-(3-methyl-2-buten-1-yl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}butanamide formate
CID 155492250
N-({rel-(1S,5S,6R,7R)-3-[(4,4-difluorocyclohexyl)methyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl}methyl)butanamide
CID 155492735
N~2~-isopropyl-N~2~-methyl-N~1~-{[rel-(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}glycinamide
CID 155500779
N-{[rel-(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}-4,4,4-trifluorobutanamide
CID 155501471
4,4,4-trifluoro-N-{[rel-(1S,5S,6R,7R)-3-(tetrahydro-2H-pyran-4-yl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}butanamide
CID 155501643
N-{[rel-(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}cyclobutanecarboxamide
CID 155502886

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (CID 154819100) is 2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is O=C(CC1CCCC1)NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3.
What is the InChIKey of 2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The InChIKey is WEIBREFDXUVRKT-BVIKNXMNSA-N. The full InChI is InChI=1S/C19H29F3N2O2/c20-19(21,22)7-8-24-11-15-14(16-5-6-18(15,12-24)26-16)10-23-17(25)9-13-3-1-2-4-13/h13-16H,1-12H2,(H,23,25)/t14-,15+,16+,18+/m0/s1.
What are the key properties of 2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is sourced from PubChem (CID 154819100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).