1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid

C23H27N3O3 — CID 119907109

IUPAC1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)N3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C23H27N3O3/c1-3-26-20-7-5-4-6-18(20)19-14-17(8-9-21(19)26)24-22(27)15(2)25-12-10-16(11-13-25)23(28)29/h4-9,14-16H,3,10-13H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyJCEDALUTJQKXCE-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.94
Rot. Bonds5

About 1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid

1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid (PubChem CID 119907109) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
PubChem CID119907109
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)N3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C23H27N3O3/c1-3-26-20-7-5-4-6-18(20)19-14-17(8-9-21(19)26)24-22(27)15(2)25-12-10-16(11-13-25)23(28)29/h4-9,14-16H,3,10-13H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyJCEDALUTJQKXCE-UHFFFAOYSA-N
XLogP3.94
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8530599
N-(9-ethylcarbazol-3-yl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 42911814
(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 31359712
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
(2R)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 2546572
(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30620277
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 71898551
1-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907684
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906958
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 8933608
N-(9-ethylcarbazol-3-yl)-2-methyl-3-pyridin-4-ylpropanamide
CID 70240283

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid (CID 119907109) is 1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid is CCn1c2ccccc2c2cc(NC(=O)C(C)N3CCC(C(=O)O)CC3)ccc21.
What is the InChIKey of 1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is JCEDALUTJQKXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-26-20-7-5-4-6-18(20)19-14-17(8-9-21(19)26)24-22(27)15(2)25-12-10-16(11-13-25)23(28)29/h4-9,14-16H,3,10-13H2,1-2H3,(H,24,27)(H,28,29).
What are the key properties of 1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 393.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).