4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide

C20H21F3N4O3 — CID 47041270

IUPAC4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1)c1ccccc1
InChIInChI=1S/C20H21F3N4O3/c21-20(22,23)13-30-17-7-6-16(12-24-17)26-19(29)27-10-8-15(9-11-27)25-18(28)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,25,28)(H,26,29)
InChIKeyCJLRINGHUINEQP-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.45
Rot. Bonds5

About 4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide

4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide (PubChem CID 47041270) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
PubChem CID47041270
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1)c1ccccc1
InChIInChI=1S/C20H21F3N4O3/c21-20(22,23)13-30-17-7-6-16(12-24-17)26-19(29)27-10-8-15(9-11-27)25-18(28)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,25,28)(H,26,29)
InChIKeyCJLRINGHUINEQP-UHFFFAOYSA-N
XLogP3.45
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 87034036
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
CID 47041273
N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 25474035
4-(4-fluorobenzoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 112829411
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
N-[3-(cyclopropylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 41405689
4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229368
4-(pyridin-3-ylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 55743974
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337
1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
CID 154764068
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46643597
N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide
CID 46588527

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide (CID 47041270) is 4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1)c1ccccc1.
What is the InChIKey of 4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide?
The InChIKey is CJLRINGHUINEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c21-20(22,23)13-30-17-7-6-16(12-24-17)26-19(29)27-10-8-15(9-11-27)25-18(28)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,25,28)(H,26,29).
What are the key properties of 4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide?
4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 47041270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).