N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide

C23H27N5O2 — CID 68779907

IUPACN-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
SMILESN/C(=N\C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1)N1CCNCC1
InChIInChI=1S/C23H27N5O2/c24-23(27-11-9-25-10-12-27)26-22(29)16-5-6-19-18-3-1-2-4-20(18)28(21(19)15-16)17-7-13-30-14-8-17/h1-6,15,17,25H,7-14H2,(H2,24,26,29)
InChIKeyCSIVVMMZQQEARL-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.51
Rot. Bonds2

About N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide

N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide (PubChem CID 68779907) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide.

Molecular Properties

Compound NameN-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
PubChem CID68779907
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
SMILESN/C(=N\C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1)N1CCNCC1
InChIInChI=1S/C23H27N5O2/c24-23(27-11-9-25-10-12-27)26-22(29)16-5-6-19-18-3-1-2-4-20(18)28(21(19)15-16)17-7-13-30-14-8-17/h1-6,15,17,25H,7-14H2,(H2,24,26,29)
InChIKeyCSIVVMMZQQEARL-UHFFFAOYSA-N
XLogP2.51
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
CID 50899051
(2-(3-fluoro-2-methylbenzyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-indol-3-yl)(piperazin-1-yl)methanone
CID 52940901
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4-(pyridin-4-yl)phenyl)methanone
CID 46880772
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4-(pyridin-3-yl)phenyl)methanone
CID 46880811
N-[2-(2-methylindol-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzamide
CID 90680548
N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 90680602
N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide
CID 90680549
N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 90680563
N-[2-(2-methylindol-1-yl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 90680603
4-(dimethylamino)-1-[9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-2-yl]butan-1-one;hydrochloride
CID 44531652
Carbazole, 2-acetyl-9-(3-(4-ethoxypiperidino)propyl)-, hydrochloride
CID 58310
Carbazole, 2-acetyl-9-(3-(4-methoxypiperidino)propyl)-, hydrochloride
CID 58312

Frequently Asked Questions

What is the IUPAC name of N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
The IUPAC name of N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide (CID 68779907) is N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide.
What is the SMILES notation for N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
The canonical SMILES for N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide is N/C(=N\C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1)N1CCNCC1.
What is the InChIKey of N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
The InChIKey is CSIVVMMZQQEARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c24-23(27-11-9-25-10-12-27)26-22(29)16-5-6-19-18-3-1-2-4-20(18)28(21(19)15-16)17-7-13-30-14-8-17/h1-6,15,17,25H,7-14H2,(H2,24,26,29).
What are the key properties of N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide is sourced from PubChem (CID 68779907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).