benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide

About benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide

benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 170728556) has the molecular formula C42H50N6O5 and a molecular weight of 718.90 g/mol. Its IUPAC name is benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name	benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID	170728556
Molecular Formula	C42H50N6O5
Molecular Weight	718.90 g/mol
Exact Mass	718.38
IUPAC Name	benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
SMILES	O=C1CCC(NC(=O)c2ccc(N3CCC(CN4CCN(c5ccccc5)CC4)CC3)cn2)C(=O)N1.Oc1ccc2c(c1)OCCC2.c1ccccc1
InChI	InChI=1S/C27H34N6O3.C9H10O2.C6H6/c34-25-9-8-24(27(36)30-25)29-26(35)23-7-6-22(18-28-23)32-12-10-20(11-13-32)19-31-14-16-33(17-15-31)21-4-2-1-3-5-21;10-8-4-3-7-2-1-5-11-9(7)6-8;1-2-4-6-5-3-1/h1-7,18,20,24H,8-17,19H2,(H,29,35)(H,30,34,36);3-4,6,10H,1-2,5H2;1-6H
InChIKey	MUKDKZYSHMOPKD-UHFFFAOYSA-N
XLogP	5.06
TPSA	127.34 Å²
H-Bond Donors	3
H-Bond Acceptors	9
Rotatable Bonds	6
Heavy Atoms	53
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.90
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?

The IUPAC name of benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide (CID 170728556) is benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide is O=C1CCC(NC(=O)c2ccc(N3CCC(CN4CCN(c5ccccc5)CC4)CC3)cn2)C(=O)N1.Oc1ccc2c(c1)OCCC2.c1ccccc1.

What is the InChIKey of benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?

The InChIKey is MUKDKZYSHMOPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3.C9H10O2.C6H6/c34-25-9-8-24(27(36)30-25)29-26(35)23-7-6-22(18-28-23)32-12-10-20(11-13-32)19-31-14-16-33(17-15-31)21-4-2-1-3-5-21;10-8-4-3-7-2-1-5-11-9(7)6-8;1-2-4-6-5-3-1/h1-7,18,20,24H,8-17,19H2,(H,29,35)(H,30,34,36);3-4,6,10H,1-2,5H2;1-6H.

What are the key properties of benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?

benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 718.90 g/mol, XLogP of 5.06, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170728556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).