ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate

C20H28N4O3 — CID 21105278

IUPACethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(=O)C3(N)CCN(CC)CC3)ccc2n1C
InChIInChI=1S/C20H28N4O3/c1-4-24-10-8-20(21,9-11-24)19(26)22-15-6-7-16-14(12-15)13-17(23(16)3)18(25)27-5-2/h6-7,12-13H,4-5,8-11,21H2,1-3H3,(H,22,26)
InChIKeyQZDJOQNLQKBYAN-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.11
Rot. Bonds5

About ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate

ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate (PubChem CID 21105278) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate
PubChem CID21105278
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Nameethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(=O)C3(N)CCN(CC)CC3)ccc2n1C
InChIInChI=1S/C20H28N4O3/c1-4-24-10-8-20(21,9-11-24)19(26)22-15-6-7-16-14(12-15)13-17(23(16)3)18(25)27-5-2/h6-7,12-13H,4-5,8-11,21H2,1-3H3,(H,22,26)
InChIKeyQZDJOQNLQKBYAN-UHFFFAOYSA-N
XLogP2.11
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
ethyl 5-amino-1-methylindole-2-carboxylate;ethyl 5-[[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylate;4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 159616065
ethyl 4-[(1-aminocyclopropanecarbonyl)amino]-1-methylpyrrole-2-carboxylate;hydrochloride
CID 119817091
ethyl 1-methyl-5-[[(2S,3S)-3-phenylpyrrolidine-2-carbonyl]amino]indole-2-carboxylate
CID 118089034
1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119901588
ethyl 5-[[(2S,3S)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-1-methylindole-2-carboxylate
CID 118100727
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
ethyl 5-[bis(2-chloroethyl)amino]-1-methylindole-2-carboxylate
CID 10688716
4-amino-N-(4-ethylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 58129318
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate?
The IUPAC name of ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate (CID 21105278) is ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate is CCOC(=O)c1cc2cc(NC(=O)C3(N)CCN(CC)CC3)ccc2n1C.
What is the InChIKey of ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate?
The InChIKey is QZDJOQNLQKBYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-24-10-8-20(21,9-11-24)19(26)22-15-6-7-16-14(12-15)13-17(23(16)3)18(25)27-5-2/h6-7,12-13H,4-5,8-11,21H2,1-3H3,(H,22,26).
What are the key properties of ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate?
ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-amino-1-ethylpiperidine-4-carbonyl)amino]-1-methylindole-2-carboxylate is sourced from PubChem (CID 21105278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).