1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide

C18H24ClF3N4O — CID 30948890

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1
InChIInChI=1S/C18H24ClF3N4O/c1-25-6-4-14(5-7-25)24-17(27)12-2-8-26(9-3-12)16-15(19)10-13(11-23-16)18(20,21)22/h10-12,14H,2-9H2,1H3,(H,24,27)
InChIKeyRUNFVQOJEGSUQD-UHFFFAOYSA-N
MW404.86 g/mol
LogP3.18
Rot. Bonds3

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 30948890) has the molecular formula C18H24ClF3N4O and a molecular weight of 404.86 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID30948890
Molecular FormulaC18H24ClF3N4O
Molecular Weight404.86 g/mol
Exact Mass404.16
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1
InChIInChI=1S/C18H24ClF3N4O/c1-25-6-4-14(5-7-25)24-17(27)12-2-8-26(9-3-12)16-15(19)10-13(11-23-16)18(20,21)22/h10-12,14H,2-9H2,1H3,(H,24,27)
InChIKeyRUNFVQOJEGSUQD-UHFFFAOYSA-N
XLogP3.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide (CID 30948890) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide is CN1CCC(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is RUNFVQOJEGSUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClF3N4O/c1-25-6-4-14(5-7-25)24-17(27)12-2-8-26(9-3-12)16-15(19)10-13(11-23-16)18(20,21)22/h10-12,14H,2-9H2,1H3,(H,24,27).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 404.86 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30948890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).