N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide

C16H23N3O2 — CID 104524593

IUPACN-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C1c2ccccc2OCC1C
InChIInChI=1S/C16H23N3O2/c1-11-10-21-14-6-4-3-5-12(14)15(11)19-8-7-18-9-13(19)16(20)17-2/h3-6,11,13,15,18H,7-10H2,1-2H3,(H,17,20)
InChIKeyVXNBUCOUNDASPR-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.78
Rot. Bonds2

About N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide

N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide (PubChem CID 104524593) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide
PubChem CID104524593
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C1c2ccccc2OCC1C
InChIInChI=1S/C16H23N3O2/c1-11-10-21-14-6-4-3-5-12(14)15(11)19-8-7-18-9-13(19)16(20)17-2/h3-6,11,13,15,18H,7-10H2,1-2H3,(H,17,20)
InChIKeyVXNBUCOUNDASPR-UHFFFAOYSA-N
XLogP0.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524796
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide
CID 104769023
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine
CID 104524590
N-methyl-1-(3-methylcyclobutyl)piperazine-2-carboxamide
CID 103563766
4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
CID 104524822
N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide
CID 77102017
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073
2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524836
N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide
CID 115372790
N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine
CID 104524583
N-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2-carboxamide
CID 82907635

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide (CID 104524593) is N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide is CNC(=O)C1CNCCN1C1c2ccccc2OCC1C.
What is the InChIKey of N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide?
The InChIKey is VXNBUCOUNDASPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-10-21-14-6-4-3-5-12(14)15(11)19-8-7-18-9-13(19)16(20)17-2/h3-6,11,13,15,18H,7-10H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide?
N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 104524593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).