1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide

C16H23N3O2 — CID 104769023

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1CC1CCOc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-17-16(20)14-10-18-7-8-19(14)11-12-6-9-21-15-5-3-2-4-13(12)15/h2-5,12,14,18H,6-11H2,1H3,(H,17,20)
InChIKeyQCOFBRYHDLEDAE-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.57
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide (PubChem CID 104769023) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide
PubChem CID104769023
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1CC1CCOc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-17-16(20)14-10-18-7-8-19(14)11-12-6-9-21-15-5-3-2-4-13(12)15/h2-5,12,14,18H,6-11H2,1H3,(H,17,20)
InChIKeyQCOFBRYHDLEDAE-UHFFFAOYSA-N
XLogP0.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide
CID 104524593
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine
CID 104768693
(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
CID 82756095
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone
CID 124556470
4-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 106781123
2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone
CID 61017517
1-[(3-cyclopropylphenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 79984072
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone
CID 116548013
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine
CID 104772091
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 120802068
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide (CID 104769023) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is QCOFBRYHDLEDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-16(20)14-10-18-7-8-19(14)11-12-6-9-21-15-5-3-2-4-13(12)15/h2-5,12,14,18H,6-11H2,1H3,(H,17,20).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 104769023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).