1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide

C26H28ClN3O2 — CID 39476204

IUPAC1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-24-10-11-25(28-17-24)30-14-12-21(13-15-30)26(31)29-16-22-8-4-5-9-23(22)19-32-18-20-6-2-1-3-7-20/h1-11,17,21H,12-16,18-19H2,(H,29,31)
InChIKeyHTICRIINONFQIS-UHFFFAOYSA-N
MW449.98 g/mol
LogP4.98
Rot. Bonds8

About 1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 39476204) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID39476204
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-24-10-11-25(28-17-24)30-14-12-21(13-15-30)26(31)29-16-22-8-4-5-9-23(22)19-32-18-20-6-2-1-3-7-20/h1-11,17,21H,12-16,18-19H2,(H,29,31)
InChIKeyHTICRIINONFQIS-UHFFFAOYSA-N
XLogP4.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide (CID 39476204) is 1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1COCc1ccccc1)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is HTICRIINONFQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c27-24-10-11-25(28-17-24)30-14-12-21(13-15-30)26(31)29-16-22-8-4-5-9-23(22)19-32-18-20-6-2-1-3-7-20/h1-11,17,21H,12-16,18-19H2,(H,29,31).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 449.98 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 39476204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).