ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate

C19H26N2O4 — CID 30283843

IUPACethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2cccc(C)c2)C1
InChIInChI=1S/C19H26N2O4/c1-3-25-19(24)16-8-5-11-21(13-16)17(22)9-10-20-18(23)15-7-4-6-14(2)12-15/h4,6-7,12,16H,3,5,8-11,13H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyNPAYAMHKELWJBU-INIZCTEOSA-N
MW346.43 g/mol
LogP1.92
Rot. Bonds6

About ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate

ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate (PubChem CID 30283843) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
PubChem CID30283843
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nameethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2cccc(C)c2)C1
InChIInChI=1S/C19H26N2O4/c1-3-25-19(24)16-8-5-11-21(13-16)17(22)9-10-20-18(23)15-7-4-6-14(2)12-15/h4,6-7,12,16H,3,5,8-11,13H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyNPAYAMHKELWJBU-INIZCTEOSA-N
XLogP1.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957
ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
CID 110838807
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
CID 51180748
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
CID 17191483
ethyl (3S)-1-[(3-methylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 7943280
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536941
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate
CID 51163987
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
CID 18108357
ethyl 1-[N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993574
ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate
CID 42698854

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate (CID 30283843) is ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2cccc(C)c2)C1.
What is the InChIKey of ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate?
The InChIKey is NPAYAMHKELWJBU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-25-19(24)16-8-5-11-21(13-16)17(22)9-10-20-18(23)15-7-4-6-14(2)12-15/h4,6-7,12,16H,3,5,8-11,13H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate?
ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 30283843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).