N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid

C16H21ClF3N3O3 — CID 174614330

IUPACN-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(=O)N(c1ccc(Cl)cn1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20ClN3O.C2HF3O2/c1-10(2)14(19)18(12-5-7-16-8-6-12)13-4-3-11(15)9-17-13;3-2(4,5)1(6)7/h3-4,9-10,12,16H,5-8H2,1-2H3;(H,6,7)
InChIKeyJKUDTWFTHXLBJS-UHFFFAOYSA-N
MW395.81 g/mol
LogP3.11
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid

N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 174614330) has the molecular formula C16H21ClF3N3O3 and a molecular weight of 395.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID174614330
Molecular FormulaC16H21ClF3N3O3
Molecular Weight395.81 g/mol
Exact Mass395.12
IUPAC NameN-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(=O)N(c1ccc(Cl)cn1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20ClN3O.C2HF3O2/c1-10(2)14(19)18(12-5-7-16-8-6-12)13-4-3-11(15)9-17-13;3-2(4,5)1(6)7/h3-4,9-10,12,16H,5-8H2,1-2H3;(H,6,7)
InChIKeyJKUDTWFTHXLBJS-UHFFFAOYSA-N
XLogP3.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid (CID 174614330) is N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid is CC(C)C(=O)N(c1ccc(Cl)cn1)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is JKUDTWFTHXLBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O.C2HF3O2/c1-10(2)14(19)18(12-5-7-16-8-6-12)13-4-3-11(15)9-17-13;3-2(4,5)1(6)7/h3-4,9-10,12,16H,5-8H2,1-2H3;(H,6,7).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 395.81 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174614330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).