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

C19H29F3N2O2 — CID 154817919

IUPAC1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide
SMILESCC1(C(=O)NC[C@H]2[C@H]3CN(CCC(F)(F)F)C[C@]34CC[C@H]2O4)CCCC1
InChIInChI=1S/C19H29F3N2O2/c1-17(5-2-3-6-17)16(25)23-10-13-14-11-24(9-8-19(20,21)22)12-18(14)7-4-15(13)26-18/h13-15H,2-12H2,1H3,(H,23,25)/t13-,14+,15+,18+/m0/s1
InChIKeyBFCBOFVPFPDIIT-LUXYFRNMSA-N
MW374.45 g/mol
LogP3.11
Rot. Bonds5

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

1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 154817919) has the molecular formula C19H29F3N2O2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide
PubChem CID154817919
Molecular FormulaC19H29F3N2O2
Molecular Weight374.45 g/mol
Exact Mass374.22
IUPAC Name1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide
SMILESCC1(C(=O)NC[C@H]2[C@H]3CN(CCC(F)(F)F)C[C@]34CC[C@H]2O4)CCCC1
InChIInChI=1S/C19H29F3N2O2/c1-17(5-2-3-6-17)16(25)23-10-13-14-11-24(9-8-19(20,21)22)12-18(14)7-4-15(13)26-18/h13-15H,2-12H2,1H3,(H,23,25)/t13-,14+,15+,18+/m0/s1
InChIKeyBFCBOFVPFPDIIT-LUXYFRNMSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide (CID 154817919) is 1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide is CC1(C(=O)NC[C@H]2[C@H]3CN(CCC(F)(F)F)C[C@]34CC[C@H]2O4)CCCC1.
What is the InChIKey of 1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is BFCBOFVPFPDIIT-LUXYFRNMSA-N. The full InChI is InChI=1S/C19H29F3N2O2/c1-17(5-2-3-6-17)16(25)23-10-13-14-11-24(9-8-19(20,21)22)12-18(14)7-4-15(13)26-18/h13-15H,2-12H2,1H3,(H,23,25)/t13-,14+,15+,18+/m0/s1.
What are the key properties of 1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide?
1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(1S,5S,6R,7R)-3-(3,3,3-trifluoropropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 154817919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).