4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

C26H32N6O3 — CID 59375108

IUPAC4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)C1
InChIInChI=1S/C26H32N6O3/c1-16(33)28-18-4-3-9-32(15-18)22-8-7-20(25(27)34)24-23(22)19-6-5-17(14-21(19)29-24)26(35)31-12-10-30(2)11-13-31/h5-8,14,18,29H,3-4,9-13,15H2,1-2H3,(H2,27,34)(H,28,33)/t18-/m1/s1
InChIKeyFEKAKWKQANUIEI-GOSISDBHSA-N
MW476.58 g/mol
LogP1.91
Rot. Bonds4

About 4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 59375108) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID59375108
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)C1
InChIInChI=1S/C26H32N6O3/c1-16(33)28-18-4-3-9-32(15-18)22-8-7-20(25(27)34)24-23(22)19-6-5-17(14-21(19)29-24)26(35)31-12-10-30(2)11-13-31/h5-8,14,18,29H,3-4,9-13,15H2,1-2H3,(H2,27,34)(H,28,33)/t18-/m1/s1
InChIKeyFEKAKWKQANUIEI-GOSISDBHSA-N
XLogP1.91
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 59375108) is 4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is CC(=O)N[C@@H]1CCCN(c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)C1.
What is the InChIKey of 4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is FEKAKWKQANUIEI-GOSISDBHSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-16(33)28-18-4-3-9-32(15-18)22-8-7-20(25(27)34)24-23(22)19-6-5-17(14-21(19)29-24)26(35)31-12-10-30(2)11-13-31/h5-8,14,18,29H,3-4,9-13,15H2,1-2H3,(H2,27,34)(H,28,33)/t18-/m1/s1.
What are the key properties of 4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-acetamidopiperidin-1-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 59375108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).