N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide

C28H37N3O3 — CID 25195564

IUPACN-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCn1c2c(c3cc(C(=O)N4CCC(NC(=O)C5CC5)CC4)ccc31)CC(C1CCOCC1)CC2
InChIInChI=1S/C28H37N3O3/c1-30-25-6-4-20(18-10-14-34-15-11-18)16-23(25)24-17-21(5-7-26(24)30)28(33)31-12-8-22(9-13-31)29-27(32)19-2-3-19/h5,7,17-20,22H,2-4,6,8-16H2,1H3,(H,29,32)
InChIKeyLBPZKRRUTVZZHT-UHFFFAOYSA-N
MW463.62 g/mol
LogP3.84
Rot. Bonds4

About N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 25195564) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID25195564
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCn1c2c(c3cc(C(=O)N4CCC(NC(=O)C5CC5)CC4)ccc31)CC(C1CCOCC1)CC2
InChIInChI=1S/C28H37N3O3/c1-30-25-6-4-20(18-10-14-34-15-11-18)16-23(25)24-17-21(5-7-26(24)30)28(33)31-12-8-22(9-13-31)29-27(32)19-2-3-19/h5,7,17-20,22H,2-4,6,8-16H2,1H3,(H,29,32)
InChIKeyLBPZKRRUTVZZHT-UHFFFAOYSA-N
XLogP3.84
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide (CID 25195564) is N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide is Cn1c2c(c3cc(C(=O)N4CCC(NC(=O)C5CC5)CC4)ccc31)CC(C1CCOCC1)CC2.
What is the InChIKey of N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is LBPZKRRUTVZZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-30-25-6-4-20(18-10-14-34-15-11-18)16-23(25)24-17-21(5-7-26(24)30)28(33)31-12-8-22(9-13-31)29-27(32)19-2-3-19/h5,7,17-20,22H,2-4,6,8-16H2,1H3,(H,29,32).
What are the key properties of N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 463.62 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 25195564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).