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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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39703925
1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
CID 47918136
1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38975761
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119719
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46434350
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687718
N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 46375169

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).