1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide

C22H26ClF2N3O3 — CID 39412430

IUPAC1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCCOc1cc(CN(C)C(=O)C2CCN(c3ccc(Cl)cn3)CC2)ccc1OC(F)F
InChIInChI=1S/C22H26ClF2N3O3/c1-3-30-19-12-15(4-6-18(19)31-22(24)25)14-27(2)21(29)16-8-10-28(11-9-16)20-7-5-17(23)13-26-20/h4-7,12-13,16,22H,3,8-11,14H2,1-2H3
InChIKeyNPSRPBOPOBRKFA-UHFFFAOYSA-N
MW453.92 g/mol
LogP4.61
Rot. Bonds8

About 1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 39412430) has the molecular formula C22H26ClF2N3O3 and a molecular weight of 453.92 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID39412430
Molecular FormulaC22H26ClF2N3O3
Molecular Weight453.92 g/mol
Exact Mass453.16
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCCOc1cc(CN(C)C(=O)C2CCN(c3ccc(Cl)cn3)CC2)ccc1OC(F)F
InChIInChI=1S/C22H26ClF2N3O3/c1-3-30-19-12-15(4-6-18(19)31-22(24)25)14-27(2)21(29)16-8-10-28(11-9-16)20-7-5-17(23)13-26-20/h4-7,12-13,16,22H,3,8-11,14H2,1-2H3
InChIKeyNPSRPBOPOBRKFA-UHFFFAOYSA-N
XLogP4.61
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.92
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide (CID 39412430) is 1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide is CCOc1cc(CN(C)C(=O)C2CCN(c3ccc(Cl)cn3)CC2)ccc1OC(F)F.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is NPSRPBOPOBRKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF2N3O3/c1-3-30-19-12-15(4-6-18(19)31-22(24)25)14-27(2)21(29)16-8-10-28(11-9-16)20-7-5-17(23)13-26-20/h4-7,12-13,16,22H,3,8-11,14H2,1-2H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 453.92 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 39412430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).