N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide

C18H25N3O2 — CID 22578449

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide
SMILESCN1CCN(CCCNC(=O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C18H25N3O2/c1-20-9-11-21(12-10-20)8-4-7-19-18(22)16-13-15-5-2-3-6-17(15)23-14-16/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,19,22)
InChIKeyRKSTVECSBJSUCR-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.22
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide

N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide (PubChem CID 22578449) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide
PubChem CID22578449
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide
SMILESCN1CCN(CCCNC(=O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C18H25N3O2/c1-20-9-11-21(12-10-20)8-4-7-19-18(22)16-13-15-5-2-3-6-17(15)23-14-16/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,19,22)
InChIKeyRKSTVECSBJSUCR-UHFFFAOYSA-N
XLogP1.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide
CID 46353382
N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 89099753
ethyl 4-[4-[4-(2H-chromene-3-carbonylamino)butyl]piperazin-1-yl]benzoate
CID 24888803
N-(3-hydroxybutyl)-2H-chromene-3-carboxamide
CID 111429331
2H-chromen-3-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753378
6-fluoro-N-[4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 59178309
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247
N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide
CID 59178325
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
N-[4-[4-(3-acetamidophenyl)piperazin-1-yl]butyl]-6-chloro-2H-chromene-3-carboxamide
CID 59178321
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoro-2H-chromene-3-carboxamide
CID 59178312
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide
CID 22578445

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide (CID 22578449) is N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide is CN1CCN(CCCNC(=O)C2=Cc3ccccc3OC2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide?
The InChIKey is RKSTVECSBJSUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20-9-11-21(12-10-20)8-4-7-19-18(22)16-13-15-5-2-3-6-17(15)23-14-16/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,19,22).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).