N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C20H27N3O2 — CID 94129990

IUPACN-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@@H](CN1CCOCC1)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H27N3O2/c1-14(13-23-8-10-25-11-9-23)21-20(24)15-6-7-19-17(12-15)16-4-2-3-5-18(16)22-19/h6-7,12,14,22H,2-5,8-11,13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyYBKFYEPKPWLLAE-AWEZNQCLSA-N
MW341.46 g/mol
LogP2.50
Rot. Bonds4

About N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 94129990) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID94129990
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESC[C@@H](CN1CCOCC1)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H27N3O2/c1-14(13-23-8-10-25-11-9-23)21-20(24)15-6-7-19-17(12-15)16-4-2-3-5-18(16)22-19/h6-7,12,14,22H,2-5,8-11,13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyYBKFYEPKPWLLAE-AWEZNQCLSA-N
XLogP2.50
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 104627716
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516
N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43064788
N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 68909734
3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 126446790
N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 94116612

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 94129990) is N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is C[C@@H](CN1CCOCC1)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is YBKFYEPKPWLLAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(13-23-8-10-25-11-9-23)21-20(24)15-6-7-19-17(12-15)16-4-2-3-5-18(16)22-19/h6-7,12,14,22H,2-5,8-11,13H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 94129990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).