4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide

C20H23N5O3 — CID 118792501

IUPAC4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)N3CCN(Cc4nccn4C)CC3)ccc12
InChIInChI=1S/C20H23N5O3/c1-14-11-19(26)28-17-12-15(3-4-16(14)17)22-20(27)25-9-7-24(8-10-25)13-18-21-5-6-23(18)2/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,27)
InChIKeyYALFPOHHCDVFNX-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.18
Rot. Bonds3

About 4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide

4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide (PubChem CID 118792501) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
PubChem CID118792501
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)N3CCN(Cc4nccn4C)CC3)ccc12
InChIInChI=1S/C20H23N5O3/c1-14-11-19(26)28-17-12-15(3-4-16(14)17)22-20(27)25-9-7-24(8-10-25)13-18-21-5-6-23(18)2/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,27)
InChIKeyYALFPOHHCDVFNX-UHFFFAOYSA-N
XLogP2.18
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
CID 72841424
4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
CID 47050835
ethyl 2-[4-[[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]amino]phenyl]acetate
CID 72841656
N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
CID 118780195
4-methyl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
CID 17270256
N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47076615
N-(3,4-dichlorophenyl)-4-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11648376
4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide
CID 72853474
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
N-(2-iodophenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 3710390
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide (CID 118792501) is 4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide is Cc1cc(=O)oc2cc(NC(=O)N3CCN(Cc4nccn4C)CC3)ccc12.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide?
The InChIKey is YALFPOHHCDVFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14-11-19(26)28-17-12-15(3-4-16(14)17)22-20(27)25-9-7-24(8-10-25)13-18-21-5-6-23(18)2/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,27).
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide?
4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 118792501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).