formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid

C21H27N3O5 — CID 154911998

IUPACformic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(NC(=O)C2CCCc3c2[nH]c2ccccc32)CC1.O=CO
InChIInChI=1S/C20H25N3O3.CH2O2/c24-18(25)12-23-10-8-13(9-11-23)21-20(26)16-6-3-5-15-14-4-1-2-7-17(14)22-19(15)16;2-1-3/h1-2,4,7,13,16,22H,3,5-6,8-12H2,(H,21,26)(H,24,25);1H,(H,2,3)
InChIKeyAFGLOFAIKFOTTG-UHFFFAOYSA-N
MW401.46 g/mol
LogP1.95
Rot. Bonds4

About formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid

formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid (PubChem CID 154911998) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Nameformic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid
PubChem CID154911998
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Nameformic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(NC(=O)C2CCCc3c2[nH]c2ccccc32)CC1.O=CO
InChIInChI=1S/C20H25N3O3.CH2O2/c24-18(25)12-23-10-8-13(9-11-23)21-20(26)16-6-3-5-15-14-4-1-2-7-17(14)22-19(15)16;2-1-3/h1-2,4,7,13,16,22H,3,5-6,8-12H2,(H,21,26)(H,24,25);1H,(H,2,3)
InChIKeyAFGLOFAIKFOTTG-UHFFFAOYSA-N
XLogP1.95
TPSA122.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 131911526
1-[4-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]piperazin-1-yl]ethanone
CID 29258867
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 46381968
morpholin-4-yl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 131916432
(1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 92881244
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 131914265
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 154569334
N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide
CID 86889631
(1R)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 99949518
(1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 26346196
2-(4-methylpiperazin-1-yl)-1-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone;dihydrochloride
CID 21156229

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid?
The IUPAC name of formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid (CID 154911998) is formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid is O=C(O)CN1CCC(NC(=O)C2CCCc3c2[nH]c2ccccc32)CC1.O=CO.
What is the InChIKey of formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid?
The InChIKey is AFGLOFAIKFOTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.CH2O2/c24-18(25)12-23-10-8-13(9-11-23)21-20(26)16-6-3-5-15-14-4-1-2-7-17(14)22-19(15)16;2-1-3/h1-2,4,7,13,16,22H,3,5-6,8-12H2,(H,21,26)(H,24,25);1H,(H,2,3).
What are the key properties of formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid?
formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid has a molecular weight of 401.46 g/mol, XLogP of 1.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 154911998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).