3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide

C16H25F3N4O — CID 72899761

IUPAC3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)CCC1CCCCN1C
InChIInChI=1S/C16H25F3N4O/c1-12-11-14(16(17,18)19)21-23(12)10-8-20-15(24)7-6-13-5-3-4-9-22(13)2/h11,13H,3-10H2,1-2H3,(H,20,24)
InChIKeyMXIQKYUECZGJBB-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.59
Rot. Bonds6

About 3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide

3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide (PubChem CID 72899761) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
PubChem CID72899761
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)CCC1CCCCN1C
InChIInChI=1S/C16H25F3N4O/c1-12-11-14(16(17,18)19)21-23(12)10-8-20-15(24)7-6-13-5-3-4-9-22(13)2/h11,13H,3-10H2,1-2H3,(H,20,24)
InChIKeyMXIQKYUECZGJBB-UHFFFAOYSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The IUPAC name of 3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide (CID 72899761) is 3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)CCC1CCCCN1C.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The InChIKey is MXIQKYUECZGJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-12-11-14(16(17,18)19)21-23(12)10-8-20-15(24)7-6-13-5-3-4-9-22(13)2/h11,13H,3-10H2,1-2H3,(H,20,24).
What are the key properties of 3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide has a molecular weight of 346.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide is sourced from PubChem (CID 72899761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).