7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide

C31H28N4O3 — CID 122191235

IUPAC7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc(Oc5ccccc5)cc4)c23)CC1
InChIInChI=1S/C31H28N4O3/c1-34-15-17-35(18-16-34)31(37)21-9-12-25-27(19-21)33-29-26(30(32)36)14-13-24(28(25)29)20-7-10-23(11-8-20)38-22-5-3-2-4-6-22/h2-14,19,33H,15-18H2,1H3,(H2,32,36)
InChIKeyKSGQEFQJEHUQQJ-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.27
Rot. Bonds5

About 7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide

7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide (PubChem CID 122191235) has the molecular formula C31H28N4O3 and a molecular weight of 504.59 g/mol. Its IUPAC name is 7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide
PubChem CID122191235
Molecular FormulaC31H28N4O3
Molecular Weight504.59 g/mol
Exact Mass504.22
IUPAC Name7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc(Oc5ccccc5)cc4)c23)CC1
InChIInChI=1S/C31H28N4O3/c1-34-15-17-35(18-16-34)31(37)21-9-12-25-27(19-21)33-29-26(30(32)36)14-13-24(28(25)29)20-7-10-23(11-8-20)38-22-5-3-2-4-6-22/h2-14,19,33H,15-18H2,1H3,(H2,32,36)
InChIKeyKSGQEFQJEHUQQJ-UHFFFAOYSA-N
XLogP5.27
TPSA91.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 378228
20-Methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-14-one
CID 24971429
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CID 23648329
20-(Propan-2-yloxy)-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-14-one
CID 24971430
4-[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]-2-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 90675379
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide (CID 122191235) is 7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide is CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc(Oc5ccccc5)cc4)c23)CC1.
What is the InChIKey of 7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide?
The InChIKey is KSGQEFQJEHUQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O3/c1-34-15-17-35(18-16-34)31(37)21-9-12-25-27(19-21)33-29-26(30(32)36)14-13-24(28(25)29)20-7-10-23(11-8-20)38-22-5-3-2-4-6-22/h2-14,19,33H,15-18H2,1H3,(H2,32,36).
What are the key properties of 7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide?
7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyphenyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 122191235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).