ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate

C23H33FN4O3 — CID 146644216

IUPACethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@H](NC(=O)C3Cc4c(F)ccc(C)c4N3)C2)CC1
InChIInChI=1S/C23H33FN4O3/c1-3-31-23(30)27-11-8-17(9-12-27)28-10-4-5-16(14-28)25-22(29)20-13-18-19(24)7-6-15(2)21(18)26-20/h6-7,16-17,20,26H,3-5,8-14H2,1-2H3,(H,25,29)/t16-,20?/m0/s1
InChIKeyYJOJKHHFBVEMQP-DJZRFWRSSA-N
MW432.54 g/mol
LogP2.67
Rot. Bonds4

About ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 146644216) has the molecular formula C23H33FN4O3 and a molecular weight of 432.54 g/mol. Its IUPAC name is ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate
PubChem CID146644216
Molecular FormulaC23H33FN4O3
Molecular Weight432.54 g/mol
Exact Mass432.25
IUPAC Nameethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@H](NC(=O)C3Cc4c(F)ccc(C)c4N3)C2)CC1
InChIInChI=1S/C23H33FN4O3/c1-3-31-23(30)27-11-8-17(9-12-27)28-10-4-5-16(14-28)25-22(29)20-13-18-19(24)7-6-15(2)21(18)26-20/h6-7,16-17,20,26H,3-5,8-14H2,1-2H3,(H,25,29)/t16-,20?/m0/s1
InChIKeyYJOJKHHFBVEMQP-DJZRFWRSSA-N
XLogP2.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[(3R)-3-[(4-fluoro-2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873657
ethyl 4-[(3S)-3-[(4-fluoro-2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873779
N-[(1R,3S)-3-[(3R)-3-[ethyl(methylsulfonyl)amino]pyrrolidin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395158
ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 75239371
ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate
CID 45245692
ethyl 4-[(3S)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873778
ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46872062
4-fluoro-7-methyl-N-[1-(1-methylpiperidin-4-yl)imidazolidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395256
N-[(1R)-3-[3-[acetyl(2-methoxyethyl)amino]pyrrolidin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395056
4-fluoro-7-methyl-N-[(1R,3R)-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395100
N-[(1R,3R)-3-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395114
4-fluoro-7-methyl-N-[(1R,3S)-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395082

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate (CID 146644216) is ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC[C@H](NC(=O)C3Cc4c(F)ccc(C)c4N3)C2)CC1.
What is the InChIKey of ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is YJOJKHHFBVEMQP-DJZRFWRSSA-N. The full InChI is InChI=1S/C23H33FN4O3/c1-3-31-23(30)27-11-8-17(9-12-27)28-10-4-5-16(14-28)25-22(29)20-13-18-19(24)7-6-15(2)21(18)26-20/h6-7,16-17,20,26H,3-5,8-14H2,1-2H3,(H,25,29)/t16-,20?/m0/s1.
What are the key properties of ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 432.54 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 146644216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).