(3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

C18H28N4O3 — CID 95775889

IUPAC(3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCCOc1ncccc1NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C18H28N4O3/c1-4-25-17-15(8-5-9-19-17)21-16(23)14-7-6-10-22(12-14)18(24)20-11-13(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3,(H,20,24)(H,21,23)/t14-/m0/s1
InChIKeyLTDWIGDMHPNEKG-AWEZNQCLSA-N
MW348.45 g/mol
LogP2.50
Rot. Bonds6

About (3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

(3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (PubChem CID 95775889) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
PubChem CID95775889
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCCOc1ncccc1NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C18H28N4O3/c1-4-25-17-15(8-5-9-19-17)21-16(23)14-7-6-10-22(12-14)18(24)20-11-13(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3,(H,20,24)(H,21,23)/t14-/m0/s1
InChIKeyLTDWIGDMHPNEKG-AWEZNQCLSA-N
XLogP2.50
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55678773
(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95981578
3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479
(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435314
3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568216
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 34880061
1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43076775
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (CID 95775889) is (3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is CCOc1ncccc1NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1.
What is the InChIKey of (3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The InChIKey is LTDWIGDMHPNEKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-4-25-17-15(8-5-9-19-17)21-16(23)14-7-6-10-22(12-14)18(24)20-11-13(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3,(H,20,24)(H,21,23)/t14-/m0/s1.
What are the key properties of (3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
(3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95775889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).