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

C25H35N3O2 — CID 56856860

IUPAC(3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3ccccc3)CN(CC(C)C)C2)cn1
InChIInChI=1S/C25H35N3O2/c1-19(2)15-28-16-22(18-30-24-10-9-20(3)27-14-24)13-23(17-28)25(29)26-12-11-21-7-5-4-6-8-21/h4-10,14,19,22-23H,11-13,15-18H2,1-3H3,(H,26,29)/t22-,23+/m0/s1
InChIKeyIKDWQEBZCVNEIC-XZOQPEGZSA-N
MW409.57 g/mol
LogP3.72
Rot. Bonds9

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

(3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 56856860) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is (3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID56856860
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name(3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3ccccc3)CN(CC(C)C)C2)cn1
InChIInChI=1S/C25H35N3O2/c1-19(2)15-28-16-22(18-30-24-10-9-20(3)27-14-24)13-23(17-28)25(29)26-12-11-21-7-5-4-6-8-21/h4-10,14,19,22-23H,11-13,15-18H2,1-3H3,(H,26,29)/t22-,23+/m0/s1
InChIKeyIKDWQEBZCVNEIC-XZOQPEGZSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
CID 56858385
(3R,5S)-N-(2-acetamidoethyl)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
CID 56858839
(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 56858161
[(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 131902956
(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)piperidine-3-carboxamide
CID 56853754
(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(3-morpholin-4-ylpropyl)-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56853072
(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56859162
(3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-[(3,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 56855950
(3R,5S)-N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
CID 56856511
(3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 56868089
(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)-1-[(3,4-dimethoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 56856945

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 56856860) is (3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide is Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3ccccc3)CN(CC(C)C)C2)cn1.
What is the InChIKey of (3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is IKDWQEBZCVNEIC-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-19(2)15-28-16-22(18-30-24-10-9-20(3)27-14-24)13-23(17-28)25(29)26-12-11-21-7-5-4-6-8-21/h4-10,14,19,22-23H,11-13,15-18H2,1-3H3,(H,26,29)/t22-,23+/m0/s1.
What are the key properties of (3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
(3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 409.57 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56856860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).