N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide

C16H22N4O2 — CID 95333968

IUPACN-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
SMILESCOC[C@H](C)N1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C16H22N4O2/c1-13(12-22-2)19-6-8-20(9-7-19)16(21)18-15-5-3-4-14(10-15)11-17/h3-5,10,13H,6-9,12H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyCVWBQYXWAOHWJE-ZDUSSCGKSA-N
MW302.38 g/mol
LogP1.74
Rot. Bonds4

About N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide

N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide (PubChem CID 95333968) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
PubChem CID95333968
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
SMILESCOC[C@H](C)N1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C16H22N4O2/c1-13(12-22-2)19-6-8-20(9-7-19)16(21)18-15-5-3-4-14(10-15)11-17/h3-5,10,13H,6-9,12H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyCVWBQYXWAOHWJE-ZDUSSCGKSA-N
XLogP1.74
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 95154450
N-(3-cyanophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113109998
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113682
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233668
N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95151911
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 113112618
N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107615
N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide
CID 75423322

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide (CID 95333968) is N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide is COC[C@H](C)N1CCN(C(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
The InChIKey is CVWBQYXWAOHWJE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13(12-22-2)19-6-8-20(9-7-19)16(21)18-15-5-3-4-14(10-15)11-17/h3-5,10,13H,6-9,12H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 95333968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).