2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide

C21H25F3N2O3 — CID 77445013

IUPAC2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C1CCN(C2CCOCC2NC(=O)c2ccc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C21H25F3N2O3/c22-21(23,24)14-3-4-16(17(11-14)13-1-2-13)20(28)25-18-12-29-10-7-19(18)26-8-5-15(27)6-9-26/h3-4,11,13,18-19H,1-2,5-10,12H2,(H,25,28)
InChIKeyNQXPEBKXQSOMLP-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.13
Rot. Bonds4

About 2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide

2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 77445013) has the molecular formula C21H25F3N2O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID77445013
Molecular FormulaC21H25F3N2O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Name2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C1CCN(C2CCOCC2NC(=O)c2ccc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C21H25F3N2O3/c22-21(23,24)14-3-4-16(17(11-14)13-1-2-13)20(28)25-18-12-29-10-7-19(18)26-8-5-15(27)6-9-26/h3-4,11,13,18-19H,1-2,5-10,12H2,(H,25,28)
InChIKeyNQXPEBKXQSOMLP-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-4-[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
CID 90290977
bis(2-cyclopropyl-N-(4-pyrrolidin-1-yloxan-3-yl)-4-(trifluoromethyl)benzamide);2-methyl-N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 87377616
2-methylsulfanyl-N-(4-pyrrolidin-1-yloxan-3-yl)-4-(trifluoromethyl)benzamide
CID 154462356
N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
CID 90290966
2-cyclopropyl-N-[(3S)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 90290997
2-cyclopropyl-6-methoxy-N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 53339900
2,6-dimethyl-N-[(4S)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 162560705
tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate
CID 90290949
N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
CID 51000996
2-methyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 53339572
N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]-2,4-bis(trifluoromethyl)benzamide
CID 58063002
2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 67359855

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide (CID 77445013) is 2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide is O=C1CCN(C2CCOCC2NC(=O)c2ccc(C(F)(F)F)cc2C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is NQXPEBKXQSOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O3/c22-21(23,24)14-3-4-16(17(11-14)13-1-2-13)20(28)25-18-12-29-10-7-19(18)26-8-5-15(27)6-9-26/h3-4,11,13,18-19H,1-2,5-10,12H2,(H,25,28).
What are the key properties of 2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide?
2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 410.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 77445013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).