N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide

C24H28N4O — CID 42095635

IUPACN-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide
SMILESCN(C(=O)c1cccc2nccnc12)[C@@H]1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C24H28N4O/c1-27(24(29)21-12-5-13-22-23(21)26-15-14-25-22)20-11-7-17-28(18-20)16-6-10-19-8-3-2-4-9-19/h2-5,8-9,12-15,20H,6-7,10-11,16-18H2,1H3/t20-/m1/s1
InChIKeyQJZZNLBAFUQACZ-HXUWFJFHSA-N
MW388.51 g/mol
LogP3.80
Rot. Bonds6

About N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide

N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide (PubChem CID 42095635) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide
PubChem CID42095635
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC NameN-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide
SMILESCN(C(=O)c1cccc2nccnc12)[C@@H]1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C24H28N4O/c1-27(24(29)21-12-5-13-22-23(21)26-15-14-25-22)20-11-7-17-28(18-20)16-6-10-19-8-3-2-4-9-19/h2-5,8-9,12-15,20H,6-7,10-11,16-18H2,1H3/t20-/m1/s1
InChIKeyQJZZNLBAFUQACZ-HXUWFJFHSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 42346476
N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
CID 25364028
N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 95725795
methyl 3-[methyl-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 42245037
1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 42510266
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide
CID 45189074
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
CID 45240726
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide?
The IUPAC name of N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide (CID 42095635) is N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide is CN(C(=O)c1cccc2nccnc12)[C@@H]1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide?
The InChIKey is QJZZNLBAFUQACZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N4O/c1-27(24(29)21-12-5-13-22-23(21)26-15-14-25-22)20-11-7-17-28(18-20)16-6-10-19-8-3-2-4-9-19/h2-5,8-9,12-15,20H,6-7,10-11,16-18H2,1H3/t20-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide?
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 42095635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).