(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide

C16H22F3N3O2 — CID 95760901

IUPAC(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)cn1
InChIInChI=1S/C16H22F3N3O2/c1-2-8-24-14-6-5-12(9-20-14)10-21-15(23)22-7-3-4-13(11-22)16(17,18)19/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyDNLVDROSBWDROC-CYBMUJFWSA-N
MW345.37 g/mol
LogP3.35
Rot. Bonds5

About (3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide

(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 95760901) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID95760901
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)cn1
InChIInChI=1S/C16H22F3N3O2/c1-2-8-24-14-6-5-12(9-20-14)10-21-15(23)22-7-3-4-13(11-22)16(17,18)19/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyDNLVDROSBWDROC-CYBMUJFWSA-N
XLogP3.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
(3aS,6aR)-2-[(6-propoxy-3-pyridinyl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122001321
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128774
2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 95971278
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 94172258
1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 86899493
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60610851
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55744255
1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122010646
5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 102962931
1-[(6-propoxy-3-pyridinyl)methyl]-3-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 126776837

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 95760901) is (3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide is CCCOc1ccc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)cn1.
What is the InChIKey of (3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is DNLVDROSBWDROC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-2-8-24-14-6-5-12(9-20-14)10-21-15(23)22-7-3-4-13(11-22)16(17,18)19/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95760901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).