(2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide

C27H33FN6O — CID 166704745

IUPAC(2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(c2cnc3cc(F)ccc3n2)[C@@H](C)CN1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H33FN6O/c1-19-17-34(20(2)16-33(19)26-15-29-25-14-22(28)8-9-24(25)31-26)27(35)30-23-10-12-32(13-11-23)18-21-6-4-3-5-7-21/h3-9,14-15,19-20,23H,10-13,16-18H2,1-2H3,(H,30,35)/t19-,20+/m0/s1
InChIKeyNBQZFXQOZQDBFD-VQTJNVASSA-N
MW476.60 g/mol
LogP4.04
Rot. Bonds4

About (2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide

(2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide (PubChem CID 166704745) has the molecular formula C27H33FN6O and a molecular weight of 476.60 g/mol. Its IUPAC name is (2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide
PubChem CID166704745
Molecular FormulaC27H33FN6O
Molecular Weight476.60 g/mol
Exact Mass476.27
IUPAC Name(2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(c2cnc3cc(F)ccc3n2)[C@@H](C)CN1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H33FN6O/c1-19-17-34(20(2)16-33(19)26-15-29-25-14-22(28)8-9-24(25)31-26)27(35)30-23-10-12-32(13-11-23)18-21-6-4-3-5-7-21/h3-9,14-15,19-20,23H,10-13,16-18H2,1-2H3,(H,30,35)/t19-,20+/m0/s1
InChIKeyNBQZFXQOZQDBFD-VQTJNVASSA-N
XLogP4.04
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide with MolForge

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Related Compounds

(2R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
CID 166704772
(2R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(5-cyanopyrimidin-2-yl)-2,5-dimethylpiperazine-1-carboxamide
CID 166704561
N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71709864
(2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
CID 166704368
(1-benzylpiperidin-4-yl) (2R,5S)-2,5-dimethyl-4-[6-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 166704879
(2S,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide
CID 166704423
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
(3R)-N-(1-benzylpiperidin-4-yl)-4-(5-cyanopyrimidin-2-yl)-3-methylpiperazine-1-carboxamide
CID 166704402
(2R)-4-(5-cyanopyrimidin-2-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpiperazine-1-carboxamide
CID 166704456
N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71460524
(1-benzylpiperidin-4-yl) (2R,6R)-2,6-dimethyl-4-quinoxalin-2-ylpiperazine-1-carboxylate
CID 166704535

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide?
The IUPAC name of (2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide (CID 166704745) is (2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for (2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide?
The canonical SMILES for (2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide is C[C@@H]1CN(c2cnc3cc(F)ccc3n2)[C@@H](C)CN1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide?
The InChIKey is NBQZFXQOZQDBFD-VQTJNVASSA-N. The full InChI is InChI=1S/C27H33FN6O/c1-19-17-34(20(2)16-33(19)26-15-29-25-14-22(28)8-9-24(25)31-26)27(35)30-23-10-12-32(13-11-23)18-21-6-4-3-5-7-21/h3-9,14-15,19-20,23H,10-13,16-18H2,1-2H3,(H,30,35)/t19-,20+/m0/s1.
What are the key properties of (2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide?
(2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N-(1-benzylpiperidin-4-yl)-4-(6-fluoroquinoxalin-2-yl)-2,5-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 166704745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).