(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide

C22H26FN5O — CID 174195693

IUPAC(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide
SMILESCC1CC=C(CNC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c2cccnc21
InChIInChI=1S/C22H26FN5O/c1-15-5-6-17(18-4-3-8-25-21(15)18)12-26-22(29)28-11-10-27(14-16(28)2)20-7-9-24-13-19(20)23/h3-4,6-9,13,15-16H,5,10-12,14H2,1-2H3,(H,26,29)/t15?,16-/m1/s1
InChIKeyYTMLJSKQLWWEPY-OEMAIJDKSA-N
MW395.48 g/mol
LogP3.43
Rot. Bonds3

About (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide

(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 174195693) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide
PubChem CID174195693
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide
SMILESCC1CC=C(CNC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c2cccnc21
InChIInChI=1S/C22H26FN5O/c1-15-5-6-17(18-4-3-8-25-21(15)18)12-26-22(29)28-11-10-27(14-16(28)2)20-7-9-24-13-19(20)23/h3-4,6-9,13,15-16H,5,10-12,14H2,1-2H3,(H,26,29)/t15?,16-/m1/s1
InChIKeyYTMLJSKQLWWEPY-OEMAIJDKSA-N
XLogP3.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 166049434
bis((2R)-N-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide);formic acid
CID 175727159
(2R)-4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
CID 155749520
(2S)-4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
CID 166049471
(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide
CID 155749655
(3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide
CID 174195949
4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 155749578
N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide
CID 110746835
N-[3-[(dimethylamino)methyl]phenyl]-4-isoquinolin-5-yl-2-methylpiperazine-1-carboxamide
CID 166233945
4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide
CID 174195240
4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide
CID 174195286
N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
CID 124846255

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide (CID 174195693) is (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide is CC1CC=C(CNC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c2cccnc21.
What is the InChIKey of (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is YTMLJSKQLWWEPY-OEMAIJDKSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-15-5-6-17(18-4-3-8-25-21(15)18)12-26-22(29)28-11-10-27(14-16(28)2)20-7-9-24-13-19(20)23/h3-4,6-9,13,15-16H,5,10-12,14H2,1-2H3,(H,26,29)/t15?,16-/m1/s1.
What are the key properties of (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide?
(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(8-methyl-7,8-dihydroquinolin-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 174195693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).