N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide

C25H31N3O4 — CID 59178325

IUPACN-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)NCCCCN1CCN(c3cccc(O)c3)CC1)=C2
InChIInChI=1S/C25H31N3O4/c1-31-23-8-7-19-15-20(18-32-24(19)17-23)25(30)26-9-2-3-10-27-11-13-28(14-12-27)21-5-4-6-22(29)16-21/h4-8,15-17,29H,2-3,9-14,18H2,1H3,(H,26,30)
InChIKeyKRMJBZFVKVAOET-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.90
Rot. Bonds8

About N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide

N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide (PubChem CID 59178325) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide
PubChem CID59178325
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)NCCCCN1CCN(c3cccc(O)c3)CC1)=C2
InChIInChI=1S/C25H31N3O4/c1-31-23-8-7-19-15-20(18-32-24(19)17-23)25(30)26-9-2-3-10-27-11-13-28(14-12-27)21-5-4-6-22(29)16-21/h4-8,15-17,29H,2-3,9-14,18H2,1H3,(H,26,30)
InChIKeyKRMJBZFVKVAOET-UHFFFAOYSA-N
XLogP2.90
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-6-methoxy-2H-thiochromene-3-carboxamide
CID 24889994
6-methoxy-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 59178314
ethyl 4-[4-[4-(2H-chromene-3-carbonylamino)butyl]piperazin-1-yl]benzoate
CID 24888803
N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 89099753
N-[4-[4-(3-acetamidophenyl)piperazin-1-yl]butyl]-6-chloro-2H-chromene-3-carboxamide
CID 59178321
N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
CID 11270403
6-fluoro-N-[4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 59178309
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589131
N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide
CID 22578449
6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119446270
N-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-methoxy-2H-thiochromene-3-carboxamide;4-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine;6-methoxy-2H-thiochromene-3-carboxylic acid
CID 172844930
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide (CID 59178325) is N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide is COc1ccc2c(c1)OCC(C(=O)NCCCCN1CCN(c3cccc(O)c3)CC1)=C2.
What is the InChIKey of N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide?
The InChIKey is KRMJBZFVKVAOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-31-23-8-7-19-15-20(18-32-24(19)17-23)25(30)26-9-2-3-10-27-11-13-28(14-12-27)21-5-4-6-22(29)16-21/h4-8,15-17,29H,2-3,9-14,18H2,1H3,(H,26,30).
What are the key properties of N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide?
N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 59178325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).