(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C27H32N4O2 — CID 56858161

IUPAC(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(OC[C@H]2C[C@@H](C(=O)NCc3cccnc3)CN(CCc3ccccc3)C2)cn1
InChIInChI=1S/C27H32N4O2/c1-21-9-10-26(17-29-21)33-20-24-14-25(27(32)30-16-23-8-5-12-28-15-23)19-31(18-24)13-11-22-6-3-2-4-7-22/h2-10,12,15,17,24-25H,11,13-14,16,18-20H2,1H3,(H,30,32)/t24-,25+/m0/s1
InChIKeyUHBDPUQXQIWCNF-LOSJGSFVSA-N
MW444.58 g/mol
LogP3.66
Rot. Bonds9

About (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 56858161) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID56858161
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(OC[C@H]2C[C@@H](C(=O)NCc3cccnc3)CN(CCc3ccccc3)C2)cn1
InChIInChI=1S/C27H32N4O2/c1-21-9-10-26(17-29-21)33-20-24-14-25(27(32)30-16-23-8-5-12-28-15-23)19-31(18-24)13-11-22-6-3-2-4-7-22/h2-10,12,15,17,24-25H,11,13-14,16,18-20H2,1H3,(H,30,32)/t24-,25+/m0/s1
InChIKeyUHBDPUQXQIWCNF-LOSJGSFVSA-N
XLogP3.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R,5S)-N-(2-acetamidoethyl)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
CID 56858839
[(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 131902956
(3R,5S)-1-(3-methylsulfanylpropyl)-5-(pyridin-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 133131815
(3R,5S)-N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
CID 56856511
(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56859162
(3R,5S)-N-[(4-methylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56852768
(3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56856852
(3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
CID 56858385
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 95570929
(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(3-morpholin-4-ylpropyl)-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56853072
(3R,5S)-1-(1H-indol-3-ylmethyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 56859660
(3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56857909

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 56858161) is (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCc3cccnc3)CN(CCc3ccccc3)C2)cn1.
What is the InChIKey of (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UHBDPUQXQIWCNF-LOSJGSFVSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-21-9-10-26(17-29-21)33-20-24-14-25(27(32)30-16-23-8-5-12-28-15-23)19-31(18-24)13-11-22-6-3-2-4-7-22/h2-10,12,15,17,24-25H,11,13-14,16,18-20H2,1H3,(H,30,32)/t24-,25+/m0/s1.
What are the key properties of (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56858161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).