ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate

C25H37N3O5 — CID 30544726

IUPACethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCCCN1C(=O)CC[C@@H](C(=O)NC2CCN(C(=O)OCC)CC2)[C@H]1c1ccccc1OC
InChIInChI=1S/C25H37N3O5/c1-4-6-15-28-22(29)12-11-20(23(28)19-9-7-8-10-21(19)32-3)24(30)26-18-13-16-27(17-14-18)25(31)33-5-2/h7-10,18,20,23H,4-6,11-17H2,1-3H3,(H,26,30)/t20-,23-/m1/s1
InChIKeyIVGZQCMDJRJBTH-NFBKMPQASA-N
MW459.59 g/mol
LogP3.51
Rot. Bonds8

About ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 30544726) has the molecular formula C25H37N3O5 and a molecular weight of 459.59 g/mol. Its IUPAC name is ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID30544726
Molecular FormulaC25H37N3O5
Molecular Weight459.59 g/mol
Exact Mass459.27
IUPAC Nameethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCCCN1C(=O)CC[C@@H](C(=O)NC2CCN(C(=O)OCC)CC2)[C@H]1c1ccccc1OC
InChIInChI=1S/C25H37N3O5/c1-4-6-15-28-22(29)12-11-20(23(28)19-9-7-8-10-21(19)32-3)24(30)26-18-13-16-27(17-14-18)25(31)33-5-2/h7-10,18,20,23H,4-6,11-17H2,1-3H3,(H,26,30)/t20-,23-/m1/s1
InChIKeyIVGZQCMDJRJBTH-NFBKMPQASA-N
XLogP3.51
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

(2R,3R)-1-butyl-N-cyclopropyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41045510
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24660303
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7130706
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24641087
1-butyl-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 86796081
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774
(2R,3S)-1-butyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40808708
(2S,3R)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 9255593
1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 24645342
1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24645150

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate (CID 30544726) is ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate is CCCCN1C(=O)CC[C@@H](C(=O)NC2CCN(C(=O)OCC)CC2)[C@H]1c1ccccc1OC.
What is the InChIKey of ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is IVGZQCMDJRJBTH-NFBKMPQASA-N. The full InChI is InChI=1S/C25H37N3O5/c1-4-6-15-28-22(29)12-11-20(23(28)19-9-7-8-10-21(19)32-3)24(30)26-18-13-16-27(17-14-18)25(31)33-5-2/h7-10,18,20,23H,4-6,11-17H2,1-3H3,(H,26,30)/t20-,23-/m1/s1.
What are the key properties of ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 459.59 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 30544726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).